22-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)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

C45H24F4N2 — CID 121474830

IUPAC22-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)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
SMILESFc1c(F)c(-n2c3ccccc3c3ccccc32)c(F)c(F)c1-c1ccc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C45H24F4N2/c46-40-37(41(47)43(49)45(42(40)48)51-35-19-9-6-13-29(35)30-14-7-10-20-36(30)51)25-21-23-26(24-22-25)44-39-32-16-4-2-12-28(32)27-11-1-3-15-31(27)38(39)33-17-5-8-18-34(33)50-44/h1-24H
InChIKeyNEBAAFUMUZNEKW-UHFFFAOYSA-N
MW668.69 g/mol
LogP12.68
Rot. Bonds3

About 22-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)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-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)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 121474830) has the molecular formula C45H24F4N2 and a molecular weight of 668.69 g/mol. Its IUPAC name is 22-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)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-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)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 CID121474830
Molecular FormulaC45H24F4N2
Molecular Weight668.69 g/mol
Exact Mass668.19
IUPAC Name22-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)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
SMILESFc1c(F)c(-n2c3ccccc3c3ccccc32)c(F)c(F)c1-c1ccc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C45H24F4N2/c46-40-37(41(47)43(49)45(42(40)48)51-35-19-9-6-13-29(35)30-14-7-10-20-36(30)51)25-21-23-26(24-22-25)44-39-32-16-4-2-12-28(32)27-11-1-3-15-31(27)38(39)33-17-5-8-18-34(33)50-44/h1-24H
InChIKeyNEBAAFUMUZNEKW-UHFFFAOYSA-N
XLogP12.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.69
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 22-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)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-(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
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
11,12-diphenylindolo[2,3-i]phenanthridine
CID 129122135
22-[4-(2-ethylbenzimidazol-1-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 121475087
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorophenyl]phenyl]carbazole
CID 102109316
2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline
CID 164980722
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
12-[4-(3-carbazol-9-ylphenyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine
CID 129122894
11-[3-(3-carbazol-9-ylphenyl)phenyl]-12-phenylindolo[2,3-i]phenanthridine
CID 129123066
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
11-(3-phenanthren-9-ylphenyl)-12-phenylindolo[2,3-i]phenanthridine
CID 129123067

Frequently Asked Questions

What is the IUPAC name of 22-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)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-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)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 121474830) is 22-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)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-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)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-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)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 Fc1c(F)c(-n2c3ccccc3c3ccccc32)c(F)c(F)c1-c1ccc(-c2nc3ccccc3c3c4ccccc4c4ccccc4c23)cc1.
What is the InChIKey of 22-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)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 NEBAAFUMUZNEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H24F4N2/c46-40-37(41(47)43(49)45(42(40)48)51-35-19-9-6-13-29(35)30-14-7-10-20-36(30)51)25-21-23-26(24-22-25)44-39-32-16-4-2-12-28(32)27-11-1-3-15-31(27)38(39)33-17-5-8-18-34(33)50-44/h1-24H.
What are the key properties of 22-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)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-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)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 668.69 g/mol, XLogP of 12.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 22-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)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 121474830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).