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

C58H37FN4 — CID 129092254

IUPACN-[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
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)N(c4ccccc4)c4cccc6cccc-5c46)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C58H37FN4/c59-39-25-27-42(28-26-39)62-53-23-10-8-20-47(53)51-36-44(31-34-55(51)62)60(43-30-33-54-50(35-43)46-19-7-9-22-52(46)61(54)40-15-3-1-4-16-40)45-29-32-48-49-21-11-13-38-14-12-24-56(58(38)49)63(57(48)37-45)41-17-5-2-6-18-41/h1-37H
InChIKeyQHGUOICDPQOHFM-UHFFFAOYSA-N
MW808.96 g/mol
LogP16.09
Rot. Bonds6

About 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

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 (PubChem CID 129092254) has the molecular formula C58H37FN4 and a molecular weight of 808.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID129092254
Molecular FormulaC58H37FN4
Molecular Weight808.96 g/mol
Exact Mass808.30
IUPAC NameN-[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
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)N(c4ccccc4)c4cccc6cccc-5c46)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C58H37FN4/c59-39-25-27-42(28-26-39)62-53-23-10-8-20-47(53)51-36-44(31-34-55(51)62)60(43-30-33-54-50(35-43)46-19-7-9-22-52(46)61(54)40-15-3-1-4-16-40)45-29-32-48-49-21-11-13-38-14-12-24-56(58(38)49)63(57(48)37-45)41-17-5-2-6-18-41/h1-37H
InChIKeyQHGUOICDPQOHFM-UHFFFAOYSA-N
XLogP16.09
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.96
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
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
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
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
8-(8-bromonaphthalen-1-yl)-5-(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-octaene
CID 135279846
N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline
CID 129133998
N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-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 118532804
CID 174033967
CID 174033967
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
12-phenyl-16-(9-phenylcarbazol-3-yl)-5λ4-thia-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene 5-oxide
CID 149351172
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)N(c4ccccc4)c4cccc6cccc-5c46)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is QHGUOICDPQOHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37FN4/c59-39-25-27-42(28-26-39)62-53-23-10-8-20-47(53)51-36-44(31-34-55(51)62)60(43-30-33-54-50(35-43)46-19-7-9-22-52(46)61(54)40-15-3-1-4-16-40)45-29-32-48-49-21-11-13-38-14-12-24-56(58(38)49)63(57(48)37-45)41-17-5-2-6-18-41/h1-37H.
What are the key properties of 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?
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 has a molecular weight of 808.96 g/mol, XLogP of 16.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129092254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).