22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

C57H35N3 — CID 121474855

IUPAC22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc6ccccc6c6c7ccccc7c7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C57H35N3/c1-2-14-39(15-3-1)59-51-24-12-9-18-43(51)48-34-37(28-32-53(48)59)38-29-33-54-49(35-38)44-19-10-13-25-52(44)60(54)40-30-26-36(27-31-40)57-56-46-21-7-5-17-42(46)41-16-4-6-20-45(41)55(56)47-22-8-11-23-50(47)58-57/h1-35H
InChIKeyHIHIQQPLURCSFD-UHFFFAOYSA-N
MW761.93 g/mol
LogP15.22
Rot. Bonds4

About 22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (PubChem CID 121474855) has the molecular formula C57H35N3 and a molecular weight of 761.93 g/mol. Its IUPAC name is 22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.

Molecular Properties

Compound Name22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
PubChem CID121474855
Molecular FormulaC57H35N3
Molecular Weight761.93 g/mol
Exact Mass761.28
IUPAC Name22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc6ccccc6c6c7ccccc7c7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C57H35N3/c1-2-14-39(15-3-1)59-51-24-12-9-18-43(51)48-34-37(28-32-53(48)59)38-29-33-54-49(35-38)44-19-10-13-25-52(44)60(54)40-30-26-36(27-31-40)57-56-46-21-7-5-17-42(46)41-16-4-6-20-45(41)55(56)47-22-8-11-23-50(47)58-57/h1-35H
InChIKeyHIHIQQPLURCSFD-UHFFFAOYSA-N
XLogP15.22
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.93
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

22-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 158670069
22-(4-carbazol-9-ylphenyl)-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-(4-carbazol-9-ylphenyl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 158695558
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702563
14-phenyl-9-(4-triphenylen-2-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122643
23-[4-(21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaen-22-yl)phenyl]-10-phenyl-15-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene
CID 121474796
14-[4-[2,7-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129124285
22-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474842
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 159534786
14-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123341
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061

Frequently Asked Questions

What is the IUPAC name of 22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The IUPAC name of 22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (CID 121474855) is 22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.
What is the SMILES notation for 22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The canonical SMILES for 22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc6ccccc6c6c7ccccc7c7ccccc7c56)cc4)ccc32)cc1.
What is the InChIKey of 22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The InChIKey is HIHIQQPLURCSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3/c1-2-14-39(15-3-1)59-51-24-12-9-18-43(51)48-34-37(28-32-53(48)59)38-29-33-54-49(35-38)44-19-10-13-25-52(44)60(54)40-30-26-36(27-31-40)57-56-46-21-7-5-17-42(46)41-16-4-6-20-45(41)55(56)47-22-8-11-23-50(47)58-57/h1-35H.
What are the key properties of 22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene has a molecular weight of 761.93 g/mol, XLogP of 15.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is sourced from PubChem (CID 121474855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).