1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile

C166H114F2N14O2 — CID 161201795

IUPAC1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile
SMILESCOc1ccc(N(c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.Fc1ccc(N(c2ccc(N(c3ccc(F)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.[C-]#[N+]c1ccc(N(c2ccc(N(c3ccc(C#N)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C56H36N6.C56H42N4O2.C54H36F2N4/c1-58-40-22-26-44(27-23-40)60(48-33-35-56-52(37-48)50-17-9-11-19-54(50)62(56)42-14-6-3-7-15-42)46-30-28-45(29-31-46)59(43-24-20-39(38-57)21-25-43)47-32-34-55-51(36-47)49-16-8-10-18-53(49)61(55)41-12-4-2-5-13-41;1-61-47-31-25-43(26-32-47)57(45-29-35-55-51(37-45)49-17-9-11-19-53(49)59(55)39-13-5-3-6-14-39)41-21-23-42(24-22-41)58(44-27-33-48(62-2)34-28-44)46-30-36-56-52(38-46)50-18-10-12-20-54(50)60(56)40-15-7-4-8-16-40;55-37-19-23-41(24-20-37)57(45-31-33-53-49(35-45)47-15-7-9-17-51(47)59(53)39-11-3-1-4-12-39)43-27-29-44(30-28-43)58(42-25-21-38(56)22-26-42)46-32-34-54-50(36-46)48-16-8-10-18-52(48)60(54)40-13-5-2-6-14-40/h2-37H;3-38H,1-2H3;1-36H
InChIKeyUVBOGPFKVRRVNJ-UHFFFAOYSA-N
MW2374.83 g/mol
LogP45.18
Rot. Bonds26

About 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile

1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile (PubChem CID 161201795) has the molecular formula C166H114F2N14O2 and a molecular weight of 2374.83 g/mol. Its IUPAC name is 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile.

Molecular Properties

Compound Name1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile
PubChem CID161201795
Molecular FormulaC166H114F2N14O2
Molecular Weight2374.83 g/mol
Exact Mass2372.92
IUPAC Name1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile
SMILESCOc1ccc(N(c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.Fc1ccc(N(c2ccc(N(c3ccc(F)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.[C-]#[N+]c1ccc(N(c2ccc(N(c3ccc(C#N)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C56H36N6.C56H42N4O2.C54H36F2N4/c1-58-40-22-26-44(27-23-40)60(48-33-35-56-52(37-48)50-17-9-11-19-54(50)62(56)42-14-6-3-7-15-42)46-30-28-45(29-31-46)59(43-24-20-39(38-57)21-25-43)47-32-34-55-51(36-47)49-16-8-10-18-53(49)61(55)41-12-4-2-5-13-41;1-61-47-31-25-43(26-32-47)57(45-29-35-55-51(37-45)49-17-9-11-19-53(49)59(55)39-13-5-3-6-14-39)41-21-23-42(24-22-41)58(44-27-33-48(62-2)34-28-44)46-30-36-56-52(38-46)50-18-10-12-20-54(50)60(56)40-15-7-4-8-16-40;55-37-19-23-41(24-20-37)57(45-31-33-53-49(35-45)47-15-7-9-17-51(47)59(53)39-11-3-1-4-12-39)43-27-29-44(30-28-43)58(42-25-21-38(56)22-26-42)46-32-34-54-50(36-46)48-16-8-10-18-52(48)60(54)40-13-5-2-6-14-40/h2-37H;3-38H,1-2H3;1-36H
InChIKeyUVBOGPFKVRRVNJ-UHFFFAOYSA-N
XLogP45.18
TPSA95.63 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002374.83
LogP ≤ 545.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile with MolForge

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Related Compounds

N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-[4-(4-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine;4-[4-[4-[4-[4-(4-isocyanophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile;[4-[4-[4-[4-[4-(4-methoxyphenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]methanol;N-[4-(4-methylphenyl)phenyl]-N-[4-[4-[4-(4-methylphenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 159969179
1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;1-N,5-N-bis(4-methylphenyl)-1-N,5-N-bis(9-phenylcarbazol-3-yl)naphthalene-1,5-diamine;4-[[5-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile
CID 160793979
4-(N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-4-isocyanoanilino)benzonitrile
CID 88953993
4-(N-[3-(4-cyano-N-(4-cyanophenyl)anilino)-5-phenylbenzo[b]carbazol-8-yl]-4-isocyanoanilino)benzonitrile
CID 156626050
N-[4-[4-(4-fluoro-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino)naphthalen-1-yl]phenyl]-N,9-bis(4-fluorophenyl)carbazol-3-amine;4-[[9-(4-fluorophenyl)carbazol-3-yl]-[4-[4-(N-[9-(4-fluorophenyl)carbazol-3-yl]-4-isocyanoanilino)phenyl]naphthalen-1-yl]amino]benzonitrile;9-(4-fluorophenyl)-N-[4-[4-[[9-(4-fluorophenyl)carbazol-3-yl]-naphthalen-1-ylamino]naphthalen-1-yl]phenyl]-N-naphthalen-1-ylcarbazol-3-amine
CID 159855027
1-N,4-N-diphenyl-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;N,N-diphenyl-4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]aniline;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile
CID 162131164
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 58651978
4-(N-[3-carbazol-9-yl-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-4-cyanoanilino)benzonitrile
CID 154990024
9-[4-[4-(3,6-diisocyanocarbazol-9-yl)-N-naphthalen-2-ylanilino]phenyl]carbazole-3,6-dicarbonitrile
CID 20781591
4-(N-[9-[4-[4-[2,6-bis(3-isocyanophenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-4-isocyanoanilino)benzonitrile
CID 140779389
4-[[6-[(4-isocyanophenyl)-diphenylsilyl]-9-(4-methoxyphenyl)carbazol-3-yl]-diphenylsilyl]benzonitrile
CID 59469965

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile?
The IUPAC name of 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile (CID 161201795) is 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile.
What is the SMILES notation for 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile?
The canonical SMILES for 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile is COc1ccc(N(c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.Fc1ccc(N(c2ccc(N(c3ccc(F)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.[C-]#[N+]c1ccc(N(c2ccc(N(c3ccc(C#N)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile?
The InChIKey is UVBOGPFKVRRVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6.C56H42N4O2.C54H36F2N4/c1-58-40-22-26-44(27-23-40)60(48-33-35-56-52(37-48)50-17-9-11-19-54(50)62(56)42-14-6-3-7-15-42)46-30-28-45(29-31-46)59(43-24-20-39(38-57)21-25-43)47-32-34-55-51(36-47)49-16-8-10-18-53(49)61(55)41-12-4-2-5-13-41;1-61-47-31-25-43(26-32-47)57(45-29-35-55-51(37-45)49-17-9-11-19-53(49)59(55)39-13-5-3-6-14-39)41-21-23-42(24-22-41)58(44-27-33-48(62-2)34-28-44)46-30-36-56-52(38-46)50-18-10-12-20-54(50)60(56)40-15-7-4-8-16-40;55-37-19-23-41(24-20-37)57(45-31-33-53-49(35-45)47-15-7-9-17-51(47)59(53)39-11-3-1-4-12-39)43-27-29-44(30-28-43)58(42-25-21-38(56)22-26-42)46-32-34-54-50(36-46)48-16-8-10-18-52(48)60(54)40-13-5-2-6-14-40/h2-37H;3-38H,1-2H3;1-36H.
What are the key properties of 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile?
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile has a molecular weight of 2374.83 g/mol, XLogP of 45.18, 26 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;1-N,4-N-bis(4-methoxyphenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile is sourced from PubChem (CID 161201795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).