N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine

C52H34FN3 — CID 129092330

IUPACN-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c6c(cccc46)N(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C52H34FN3/c53-37-24-28-40(29-25-37)55-48-20-10-8-17-43(48)46-34-41(30-32-50(46)55)54(39-26-22-36(23-27-39)35-12-3-1-4-13-35)49-33-31-44-42-16-7-9-19-47(42)56(38-14-5-2-6-15-38)51-21-11-18-45(49)52(44)51/h1-34H
InChIKeyLASBKWBSLRBSRM-UHFFFAOYSA-N
MW719.86 g/mol
LogP14.66
Rot. Bonds6

About N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine

N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine (PubChem CID 129092330) has the molecular formula C52H34FN3 and a molecular weight of 719.86 g/mol. Its IUPAC name is N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine.

Molecular Properties

Compound NameN-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine
PubChem CID129092330
Molecular FormulaC52H34FN3
Molecular Weight719.86 g/mol
Exact Mass719.27
IUPAC NameN-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c6c(cccc46)N(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C52H34FN3/c53-37-24-28-40(29-25-37)55-48-20-10-8-17-43(48)46-34-41(30-32-50(46)55)54(39-26-22-36(23-27-39)35-12-3-1-4-13-35)49-33-31-44-42-16-7-9-19-47(42)56(38-14-5-2-6-15-38)51-21-11-18-45(49)52(44)51/h1-34H
InChIKeyLASBKWBSLRBSRM-UHFFFAOYSA-N
XLogP14.66
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.86
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine with MolForge

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Related Compounds

9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 129092407
N-naphthalen-1-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine
CID 129092334
N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
CID 129092254
N-dibenzofuran-2-yl-8-phenyl-N-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine
CID 129092397
N-(4-fluorophenyl)-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine
CID 59181411
9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine
CID 59844874
N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 71038259
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 129133869
9-(4-fluorophenyl)-N-naphthalen-1-yl-N-[4-(4-triphenylgermylphenyl)phenyl]carbazol-3-amine
CID 140704846
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 164832089

Frequently Asked Questions

What is the IUPAC name of N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine?
The IUPAC name of N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine (CID 129092330) is N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine.
What is the SMILES notation for N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine?
The canonical SMILES for N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c6c(cccc46)N(c4ccccc4)c4ccccc4-5)ccc32)cc1.
What is the InChIKey of N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine?
The InChIKey is LASBKWBSLRBSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34FN3/c53-37-24-28-40(29-25-37)55-48-20-10-8-17-43(48)46-34-41(30-32-50(46)55)54(39-26-22-36(23-27-39)35-12-3-1-4-13-35)49-33-31-44-42-16-7-9-19-47(42)56(38-14-5-2-6-15-38)51-21-11-18-45(49)52(44)51/h1-34H.
What are the key properties of N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine?
N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine has a molecular weight of 719.86 g/mol, XLogP of 14.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(4-phenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine is sourced from PubChem (CID 129092330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).