23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene

C54H32N4 — CID 130259787

IUPAC23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene
SMILESc1ccc(-c2ccc3c(c2)c2c4c5ccccc5n5c6ccc(-c7ccccc7)cc6c(cc2n3-c2nc(-c3ccc6ccccc6c3)c3ccccc3n2)c45)cc1
InChIInChI=1S/C54H32N4/c1-3-13-33(14-4-1)37-25-27-47-42(30-37)43-32-49-50(51-41-20-10-12-22-46(41)57(47)53(43)51)44-31-38(34-15-5-2-6-16-34)26-28-48(44)58(49)54-55-45-21-11-9-19-40(45)52(56-54)39-24-23-35-17-7-8-18-36(35)29-39/h1-32H
InChIKeyWUKQROHJSKPVMR-UHFFFAOYSA-N
MW736.88 g/mol
LogP14.03
Rot. Bonds4

About 23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene

23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene (PubChem CID 130259787) has the molecular formula C54H32N4 and a molecular weight of 736.88 g/mol. Its IUPAC name is 23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene.

Molecular Properties

Compound Name23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene
PubChem CID130259787
Molecular FormulaC54H32N4
Molecular Weight736.88 g/mol
Exact Mass736.26
IUPAC Name23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene
SMILESc1ccc(-c2ccc3c(c2)c2c4c5ccccc5n5c6ccc(-c7ccccc7)cc6c(cc2n3-c2nc(-c3ccc6ccccc6c3)c3ccccc3n2)c45)cc1
InChIInChI=1S/C54H32N4/c1-3-13-33(14-4-1)37-25-27-47-42(30-37)43-32-49-50(51-41-20-10-12-22-46(41)57(47)53(43)51)44-31-38(34-15-5-2-6-16-34)26-28-48(44)58(49)54-55-45-21-11-9-19-40(45)52(56-54)39-24-23-35-17-7-8-18-36(35)29-39/h1-32H
InChIKeyWUKQROHJSKPVMR-UHFFFAOYSA-N
XLogP14.03
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.88
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene with MolForge

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Related Compounds

13-(4-naphthalen-2-ylquinazolin-2-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene
CID 138708785
21-naphthalen-2-yl-17-(4-naphthalen-2-ylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(2-naphthalen-2-ylquinazolin-4-yl)-21-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(4-naphthalen-2-ylquinazolin-2-yl)-21-(4-phenylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene
CID 162153636
4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene;4,19-diphenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene;23-(2-naphthalen-2-ylquinazolin-4-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene
CID 159502057
23-(2-naphthalen-2-ylquinazolin-4-yl)-5-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(4-phenylquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 162106899
4-naphthalen-2-yl-2-(19-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17(22),18,20-dodecaen-23-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 130258771
21-phenyl-17-(4-phenylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene
CID 130258317
27-(4-carbazol-9-ylquinazolin-2-yl)-12,27-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2,4,6,8,10,13,15,17,19(30),20(28),21,23,25-tetradecaene;27-(4-phenanthren-9-ylquinazolin-2-yl)-12,27-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2,4,6,8,10,13,15,17,19(30),20(28),21,23,25-tetradecaene;27-[4-(4-phenylphenyl)quinazolin-2-yl]-12,27-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2,4,6,8,10,13,15,17,19(30),20(28),21,23,25-tetradecaene
CID 161463062
2-[4-[4-[23-(4-phenanthren-3-ylquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17(22),18,20-dodecaen-19-yl]phenyl]phenyl]-4-(19-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17(22),18,20-dodecaen-23-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 138708814
27-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-12,27-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2,4,6,8,10,13,15,17,19(30),20(28),21,23,25-tetradecaene
CID 130260128
7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole
CID 118637738
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298
4-naphthalen-2-yl-2-(5-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaen-23-yl)-[1]benzothiolo[2,3-d]pyrimidine
CID 130259107

Frequently Asked Questions

What is the IUPAC name of 23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene?
The IUPAC name of 23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene (CID 130259787) is 23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene.
What is the SMILES notation for 23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene?
The canonical SMILES for 23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene is c1ccc(-c2ccc3c(c2)c2c4c5ccccc5n5c6ccc(-c7ccccc7)cc6c(cc2n3-c2nc(-c3ccc6ccccc6c3)c3ccccc3n2)c45)cc1.
What is the InChIKey of 23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene?
The InChIKey is WUKQROHJSKPVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4/c1-3-13-33(14-4-1)37-25-27-47-42(30-37)43-32-49-50(51-41-20-10-12-22-46(41)57(47)53(43)51)44-31-38(34-15-5-2-6-16-34)26-28-48(44)58(49)54-55-45-21-11-9-19-40(45)52(56-54)39-24-23-35-17-7-8-18-36(35)29-39/h1-32H.
What are the key properties of 23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene?
23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene has a molecular weight of 736.88 g/mol, XLogP of 14.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(4-naphthalen-2-ylquinazolin-2-yl)-4,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene is sourced from PubChem (CID 130259787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).