N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine

C62H38FN3O — CID 126718566

IUPACN-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine
SMILESFc1ccc(N(c2ccc(-c3ccc4c5cc6c(ccc7oc8ccccc8c76)cc5n(-c5ccccc5)c4c3)cc2)c2ccc3c4cc5ccccc5cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C62H38FN3O/c63-44-23-27-48(28-24-44)64(49-29-31-51-54-33-40-11-7-8-12-41(40)34-57(54)66(59(51)37-49)46-15-5-2-6-16-46)47-25-19-39(20-26-47)42-21-30-50-55-38-53-43(22-32-61-62(53)52-17-9-10-18-60(52)67-61)36-58(55)65(56(50)35-42)45-13-3-1-4-14-45/h1-38H
InChIKeySQPAGQVGYDNQPB-UHFFFAOYSA-N
MW860.00 g/mol
LogP17.36
Rot. Bonds6

About N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine

N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine (PubChem CID 126718566) has the molecular formula C62H38FN3O and a molecular weight of 860.00 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine
PubChem CID126718566
Molecular FormulaC62H38FN3O
Molecular Weight860.00 g/mol
Exact Mass859.30
IUPAC NameN-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine
SMILESFc1ccc(N(c2ccc(-c3ccc4c5cc6c(ccc7oc8ccccc8c76)cc5n(-c5ccccc5)c4c3)cc2)c2ccc3c4cc5ccccc5cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C62H38FN3O/c63-44-23-27-48(28-24-44)64(49-29-31-51-54-33-40-11-7-8-12-41(40)34-57(54)66(59(51)37-49)46-15-5-2-6-16-46)47-25-19-39(20-26-47)42-21-30-50-55-38-53-43(22-32-61-62(53)52-17-9-10-18-60(52)67-61)36-58(55)65(56(50)35-42)45-13-3-1-4-14-45/h1-38H
InChIKeySQPAGQVGYDNQPB-UHFFFAOYSA-N
XLogP17.36
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.00
LogP ≤ 517.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine?
The IUPAC name of N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine (CID 126718566) is N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine is Fc1ccc(N(c2ccc(-c3ccc4c5cc6c(ccc7oc8ccccc8c76)cc5n(-c5ccccc5)c4c3)cc2)c2ccc3c4cc5ccccc5cc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine?
The InChIKey is SQPAGQVGYDNQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38FN3O/c63-44-23-27-48(28-24-44)64(49-29-31-51-54-33-40-11-7-8-12-41(40)34-57(54)66(59(51)37-49)46-15-5-2-6-16-46)47-25-19-39(20-26-47)42-21-30-50-55-38-53-43(22-32-61-62(53)52-17-9-10-18-60(52)67-61)36-58(55)65(56(50)35-42)45-13-3-1-4-14-45/h1-38H.
What are the key properties of N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine?
N-(4-fluorophenyl)-5-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine has a molecular weight of 860.00 g/mol, XLogP of 17.36, 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-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-19-yl)phenyl]benzo[b]carbazol-3-amine is sourced from PubChem (CID 126718566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).