9-(2,4-diphenylquinazolin-6-yl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-7-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[4-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene

C210H128N12 — CID 157480772

IUPAC9-(2,4-diphenylquinazolin-6-yl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-7-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[4-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3cc(-c4ccc(-n5c6ccccc6c6c7c8ccccc8c8ccccc8c7c7ccccc7c65)cc4)ccc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8c8ccccc8c7c7ccccc7c65)c4)ccc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6ccccc6c54)ccc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8c8ccccc8c7c7ccccc7c65)c4)cc3n2)cc1
InChIInChI=1S/3C54H33N3.C48H29N3/c1-3-16-34(17-4-1)52-45-31-30-37(33-47(45)55-54(56-52)35-18-5-2-6-19-35)36-20-15-21-38(32-36)57-48-29-14-13-28-46(48)51-50-42-25-10-8-23-40(42)39-22-7-9-24-41(39)49(50)43-26-11-12-27-44(43)53(51)57;1-3-16-34(17-4-1)52-46-33-37(30-31-47(46)55-54(56-52)35-18-5-2-6-19-35)36-20-15-21-38(32-36)57-48-29-14-13-28-45(48)51-50-42-25-10-8-23-40(42)39-22-7-9-24-41(39)49(50)43-26-11-12-27-44(43)53(51)57;1-3-15-35(16-4-1)52-46-33-37(29-32-47(46)55-54(56-52)36-17-5-2-6-18-36)34-27-30-38(31-28-34)57-48-26-14-13-25-45(48)51-50-42-22-10-8-20-40(42)39-19-7-9-21-41(39)49(50)43-23-11-12-24-44(43)53(51)57;1-3-15-30(16-4-1)46-40-29-32(27-28-41(40)49-48(50-46)31-17-5-2-6-18-31)51-42-26-14-13-25-39(42)45-44-36-22-10-8-20-34(36)33-19-7-9-21-35(33)43(44)37-23-11-12-24-38(37)47(45)51/h3*1-33H;1-29H
InChIKeyBWDANZJTVMMENE-UHFFFAOYSA-N
MW2819.42 g/mol
LogP55.70
Rot. Bonds15

About 9-(2,4-diphenylquinazolin-6-yl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-7-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[4-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene

9-(2,4-diphenylquinazolin-6-yl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-7-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[4-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene (PubChem CID 157480772) has the molecular formula C210H128N12 and a molecular weight of 2819.42 g/mol. Its IUPAC name is 9-(2,4-diphenylquinazolin-6-yl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-7-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[4-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene.

Molecular Properties

Compound Name9-(2,4-diphenylquinazolin-6-yl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-7-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[4-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene
PubChem CID157480772
Molecular FormulaC210H128N12
Molecular Weight2819.42 g/mol
Exact Mass2817.04
IUPAC Name9-(2,4-diphenylquinazolin-6-yl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-7-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[4-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3cc(-c4ccc(-n5c6ccccc6c6c7c8ccccc8c8ccccc8c7c7ccccc7c65)cc4)ccc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8c8ccccc8c7c7ccccc7c65)c4)ccc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6ccccc6c54)ccc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8c8ccccc8c7c7ccccc7c65)c4)cc3n2)cc1
InChIInChI=1S/3C54H33N3.C48H29N3/c1-3-16-34(17-4-1)52-45-31-30-37(33-47(45)55-54(56-52)35-18-5-2-6-19-35)36-20-15-21-38(32-36)57-48-29-14-13-28-46(48)51-50-42-25-10-8-23-40(42)39-22-7-9-24-41(39)49(50)43-26-11-12-27-44(43)53(51)57;1-3-16-34(17-4-1)52-46-33-37(30-31-47(46)55-54(56-52)35-18-5-2-6-19-35)36-20-15-21-38(32-36)57-48-29-14-13-28-45(48)51-50-42-25-10-8-23-40(42)39-22-7-9-24-41(39)49(50)43-26-11-12-27-44(43)53(51)57;1-3-15-35(16-4-1)52-46-33-37(29-32-47(46)55-54(56-52)36-17-5-2-6-18-36)34-27-30-38(31-28-34)57-48-26-14-13-25-45(48)51-50-42-22-10-8-20-40(42)39-19-7-9-21-41(39)49(50)43-23-11-12-24-44(43)53(51)57;1-3-15-30(16-4-1)46-40-29-32(27-28-41(40)49-48(50-46)31-17-5-2-6-18-31)51-42-26-14-13-25-39(42)45-44-36-22-10-8-20-34(36)33-19-7-9-21-35(33)43(44)37-23-11-12-24-38(37)47(45)51/h3*1-33H;1-29H
InChIKeyBWDANZJTVMMENE-UHFFFAOYSA-N
XLogP55.70
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002819.42
LogP ≤ 555.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(2,4-diphenylquinazolin-6-yl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-7-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[4-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene with MolForge

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Related Compounds

10-(4-phenylphenyl)-15-[3-(4-phenylquinazolin-2-yl)phenyl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 135165986
15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 159906970
11-(2,4-diphenylquinazolin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene
CID 154952405
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
12-(3,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;methane;12-(3-phenylphenyl)-5-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 160880044
buta-1,3-diene;ethane;9-(4-phenylphenyl)-25-[4-(4-phenylquinazolin-2-yl)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
CID 144696785
9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630568
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine
CID 129122934
5-(4-phenylphenyl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 135166213
12-[3-[6-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 126630940
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976

Frequently Asked Questions

What is the IUPAC name of 9-(2,4-diphenylquinazolin-6-yl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-7-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[4-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene?
The IUPAC name of 9-(2,4-diphenylquinazolin-6-yl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-7-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[4-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene (CID 157480772) is 9-(2,4-diphenylquinazolin-6-yl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-7-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[4-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene.
What is the SMILES notation for 9-(2,4-diphenylquinazolin-6-yl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-7-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[4-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene?
The canonical SMILES for 9-(2,4-diphenylquinazolin-6-yl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-7-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[4-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene is c1ccc(-c2nc(-c3ccccc3)c3cc(-c4ccc(-n5c6ccccc6c6c7c8ccccc8c8ccccc8c7c7ccccc7c65)cc4)ccc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8c8ccccc8c7c7ccccc7c65)c4)ccc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6ccccc6c54)ccc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8c8ccccc8c7c7ccccc7c65)c4)cc3n2)cc1.
What is the InChIKey of 9-(2,4-diphenylquinazolin-6-yl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-7-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[4-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene?
The InChIKey is BWDANZJTVMMENE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C54H33N3.C48H29N3/c1-3-16-34(17-4-1)52-45-31-30-37(33-47(45)55-54(56-52)35-18-5-2-6-19-35)36-20-15-21-38(32-36)57-48-29-14-13-28-46(48)51-50-42-25-10-8-23-40(42)39-22-7-9-24-41(39)49(50)43-26-11-12-27-44(43)53(51)57;1-3-16-34(17-4-1)52-46-33-37(30-31-47(46)55-54(56-52)35-18-5-2-6-19-35)36-20-15-21-38(32-36)57-48-29-14-13-28-45(48)51-50-42-25-10-8-23-40(42)39-22-7-9-24-41(39)49(50)43-26-11-12-27-44(43)53(51)57;1-3-15-35(16-4-1)52-46-33-37(29-32-47(46)55-54(56-52)36-17-5-2-6-18-36)34-27-30-38(31-28-34)57-48-26-14-13-25-45(48)51-50-42-22-10-8-20-40(42)39-19-7-9-21-41(39)49(50)43-23-11-12-24-44(43)53(51)57;1-3-15-30(16-4-1)46-40-29-32(27-28-41(40)49-48(50-46)31-17-5-2-6-18-31)51-42-26-14-13-25-39(42)45-44-36-22-10-8-20-34(36)33-19-7-9-21-35(33)43(44)37-23-11-12-24-38(37)47(45)51/h3*1-33H;1-29H.
What are the key properties of 9-(2,4-diphenylquinazolin-6-yl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-7-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[4-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene?
9-(2,4-diphenylquinazolin-6-yl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-7-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[4-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene has a molecular weight of 2819.42 g/mol, XLogP of 55.70, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-diphenylquinazolin-6-yl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[3-(2,4-diphenylquinazolin-7-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-[4-(2,4-diphenylquinazolin-6-yl)phenyl]-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 157480772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).