15-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.020,25]octacosa-1(16),2(14),3,5,7,9,12,17,19(28),20,22,24,26-tridecaene

C52H32N4 — CID 146872153

IUPAC15-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.020,25]octacosa-1(16),2(14),3,5,7,9,12,17,19(28),20,22,24,26-tridecaene
SMILESc1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc6c7c8ccc9ccccc9c8ccc7n(-c7ccccc7)c6cc54)nc4ccccc34)c2)cc1
InChIInChI=1S/C52H32N4/c1-3-14-33(15-4-1)35-17-13-18-36(30-35)51-42-23-9-11-24-45(42)53-52(54-51)56-46-25-12-10-22-40(46)43-31-44-49(32-48(43)56)55(37-19-5-2-6-20-37)47-29-28-39-38-21-8-7-16-34(38)26-27-41(39)50(44)47/h1-32H
InChIKeySOIMRLGNAQQYOA-UHFFFAOYSA-N
MW712.86 g/mol
LogP13.46
Rot. Bonds4

About 15-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.020,25]octacosa-1(16),2(14),3,5,7,9,12,17,19(28),20,22,24,26-tridecaene

15-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.020,25]octacosa-1(16),2(14),3,5,7,9,12,17,19(28),20,22,24,26-tridecaene (PubChem CID 146872153) has the molecular formula C52H32N4 and a molecular weight of 712.86 g/mol. Its IUPAC name is 15-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.020,25]octacosa-1(16),2(14),3,5,7,9,12,17,19(28),20,22,24,26-tridecaene.

Molecular Properties

Compound Name15-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.020,25]octacosa-1(16),2(14),3,5,7,9,12,17,19(28),20,22,24,26-tridecaene
PubChem CID146872153
Molecular FormulaC52H32N4
Molecular Weight712.86 g/mol
Exact Mass712.26
IUPAC Name15-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.020,25]octacosa-1(16),2(14),3,5,7,9,12,17,19(28),20,22,24,26-tridecaene
SMILESc1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc6c7c8ccc9ccccc9c8ccc7n(-c7ccccc7)c6cc54)nc4ccccc34)c2)cc1
InChIInChI=1S/C52H32N4/c1-3-14-33(15-4-1)35-17-13-18-36(30-35)51-42-23-9-11-24-45(42)53-52(54-51)56-46-25-12-10-22-40(46)43-31-44-49(32-48(43)56)55(37-19-5-2-6-20-37)47-29-28-39-38-21-8-7-16-34(38)26-27-41(39)50(44)47/h1-32H
InChIKeySOIMRLGNAQQYOA-UHFFFAOYSA-N
XLogP13.46
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.86
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 15-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.020,25]octacosa-1(16),2(14),3,5,7,9,12,17,19(28),20,22,24,26-tridecaene with MolForge

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Related Compounds

12-(4-phenylphenyl)-16-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-(4-phenylphenyl)-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(3-phenylphenyl)quinoxalin-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 160926050
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
14-phenyl-9-[4-(3-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165864
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211
22-[4-(3-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597929
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
22-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597887
12-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149729
10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481241
3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 166956013
10-carbazol-9-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 161241392
10-benzo[a]carbazol-11-yl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 142474106

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.020,25]octacosa-1(16),2(14),3,5,7,9,12,17,19(28),20,22,24,26-tridecaene?
The IUPAC name of 15-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.020,25]octacosa-1(16),2(14),3,5,7,9,12,17,19(28),20,22,24,26-tridecaene (CID 146872153) is 15-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.020,25]octacosa-1(16),2(14),3,5,7,9,12,17,19(28),20,22,24,26-tridecaene.
What is the SMILES notation for 15-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.020,25]octacosa-1(16),2(14),3,5,7,9,12,17,19(28),20,22,24,26-tridecaene?
The canonical SMILES for 15-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.020,25]octacosa-1(16),2(14),3,5,7,9,12,17,19(28),20,22,24,26-tridecaene is c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc6c7c8ccc9ccccc9c8ccc7n(-c7ccccc7)c6cc54)nc4ccccc34)c2)cc1.
What is the InChIKey of 15-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.020,25]octacosa-1(16),2(14),3,5,7,9,12,17,19(28),20,22,24,26-tridecaene?
The InChIKey is SOIMRLGNAQQYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4/c1-3-14-33(15-4-1)35-17-13-18-36(30-35)51-42-23-9-11-24-45(42)53-52(54-51)56-46-25-12-10-22-40(46)43-31-44-49(32-48(43)56)55(37-19-5-2-6-20-37)47-29-28-39-38-21-8-7-16-34(38)26-27-41(39)50(44)47/h1-32H.
What are the key properties of 15-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.020,25]octacosa-1(16),2(14),3,5,7,9,12,17,19(28),20,22,24,26-tridecaene?
15-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.020,25]octacosa-1(16),2(14),3,5,7,9,12,17,19(28),20,22,24,26-tridecaene has a molecular weight of 712.86 g/mol, XLogP of 13.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.020,25]octacosa-1(16),2(14),3,5,7,9,12,17,19(28),20,22,24,26-tridecaene is sourced from PubChem (CID 146872153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).