N-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine

C62H38FN3S — CID 126621684

IUPACN-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine
SMILESFc1ccc(N(c2ccc(-c3ccc4c5cc6ccc7c8ccccc8sc7c6cc5n(-c5ccccc5)c4c3)cc2)c2ccc3c4cc5ccccc5cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C62H38FN3S/c63-44-23-27-48(28-24-44)64(49-29-32-51-55-33-40-11-7-8-12-41(40)35-58(55)66(59(51)37-49)46-15-5-2-6-16-46)47-25-19-39(20-26-47)42-21-30-50-56-34-43-22-31-53-52-17-9-10-18-61(52)67-62(53)54(43)38-60(56)65(57(50)36-42)45-13-3-1-4-14-45/h1-38H
InChIKeyYUPNMQMFFBLOBD-UHFFFAOYSA-N
MW876.07 g/mol
LogP17.83
Rot. Bonds6

About N-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine

N-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine (PubChem CID 126621684) has the molecular formula C62H38FN3S and a molecular weight of 876.07 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine
PubChem CID126621684
Molecular FormulaC62H38FN3S
Molecular Weight876.07 g/mol
Exact Mass875.28
IUPAC NameN-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine
SMILESFc1ccc(N(c2ccc(-c3ccc4c5cc6ccc7c8ccccc8sc7c6cc5n(-c5ccccc5)c4c3)cc2)c2ccc3c4cc5ccccc5cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C62H38FN3S/c63-44-23-27-48(28-24-44)64(49-29-32-51-55-33-40-11-7-8-12-41(40)35-58(55)66(59(51)37-49)46-15-5-2-6-16-46)47-25-19-39(20-26-47)42-21-30-50-56-34-43-22-31-53-52-17-9-10-18-61(52)67-62(53)54(43)38-60(56)65(57(50)36-42)45-13-3-1-4-14-45/h1-38H
InChIKeyYUPNMQMFFBLOBD-UHFFFAOYSA-N
XLogP17.83
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.07
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine?
The IUPAC name of N-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine (CID 126621684) is N-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine is Fc1ccc(N(c2ccc(-c3ccc4c5cc6ccc7c8ccccc8sc7c6cc5n(-c5ccccc5)c4c3)cc2)c2ccc3c4cc5ccccc5cc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine?
The InChIKey is YUPNMQMFFBLOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38FN3S/c63-44-23-27-48(28-24-44)64(49-29-32-51-55-33-40-11-7-8-12-41(40)35-58(55)66(59(51)37-49)46-15-5-2-6-16-46)47-25-19-39(20-26-47)42-21-30-50-56-34-43-22-31-53-52-17-9-10-18-61(52)67-62(53)54(43)38-60(56)65(57(50)36-42)45-13-3-1-4-14-45/h1-38H.
What are the key properties of N-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine?
N-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine has a molecular weight of 876.07 g/mol, XLogP of 17.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine is sourced from PubChem (CID 126621684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).