14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

C52H32N4 — CID 134552537

IUPAC14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
SMILESc1ccc(-c2nc(-n3c4ccc5ccccc5c4c4cc5ccccc5c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c43)nc3ccccc23)cc1
InChIInChI=1S/C52H32N4/c1-3-16-34(17-4-1)50-42-24-11-13-25-44(42)53-52(54-50)56-46-30-28-33-15-7-9-21-38(33)49(46)43-31-35-18-8-10-22-39(35)48(51(43)56)36-27-29-41-40-23-12-14-26-45(40)55(47(41)32-36)37-19-5-2-6-20-37/h1-32H
InChIKeyIKLVKDXVVJZQPA-UHFFFAOYSA-N
MW712.86 g/mol
LogP13.46
Rot. Bonds4

About 14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (PubChem CID 134552537) has the molecular formula C52H32N4 and a molecular weight of 712.86 g/mol. Its IUPAC name is 14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

Molecular Properties

Compound Name14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
PubChem CID134552537
Molecular FormulaC52H32N4
Molecular Weight712.86 g/mol
Exact Mass712.26
IUPAC Name14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
SMILESc1ccc(-c2nc(-n3c4ccc5ccccc5c4c4cc5ccccc5c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c43)nc3ccccc23)cc1
InChIInChI=1S/C52H32N4/c1-3-16-34(17-4-1)50-42-24-11-13-25-44(42)53-52(54-50)56-46-30-28-33-15-7-9-21-38(33)49(46)43-31-35-18-8-10-22-39(35)48(51(43)56)36-27-29-41-40-23-12-14-26-45(40)55(47(41)32-36)37-19-5-2-6-20-37/h1-32H
InChIKeyIKLVKDXVVJZQPA-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

Analyze 14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene with MolForge

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Related Compounds

14-[9-(4-phenylphenyl)carbazol-3-yl]-5-[9-(4-phenylphenyl)-7-[6-phenyl-2-[3-[4-[3-(6-phenylbenzo[b]carbazol-5-yl)carbazol-9-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]carbazol-2-yl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene
CID 134556019
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
6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 134552523
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
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 134552659
5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552532
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
9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481400
32-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12,32-diazanonacyclo[17.14.1.02,11.05,10.012,34.013,18.021,33.022,31.023,28]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21(33),22(31),23,25,27,29-hexadecaene
CID 138708900
6-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]-1-[4-[4-[3-[5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazol-6-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole
CID 134556124
3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569

Frequently Asked Questions

What is the IUPAC name of 14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The IUPAC name of 14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (CID 134552537) is 14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.
What is the SMILES notation for 14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The canonical SMILES for 14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4cc5ccccc5c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c43)nc3ccccc23)cc1.
What is the InChIKey of 14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The InChIKey is IKLVKDXVVJZQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4/c1-3-16-34(17-4-1)50-42-24-11-13-25-44(42)53-52(54-50)56-46-30-28-33-15-7-9-21-38(33)49(46)43-31-35-18-8-10-22-39(35)48(51(43)56)36-27-29-41-40-23-12-14-26-45(40)55(47(41)32-36)37-19-5-2-6-20-37/h1-32H.
What are the key properties of 14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene 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 14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is sourced from PubChem (CID 134552537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).