3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine

C207H148F5N15 — CID 159202943

IUPAC3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine
SMILESFc1c(F)c(F)c(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5cccc(N(c6ccccc6)c6ccccc6)c5)cc4)ccc32)c(F)c1F.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccn4)cc3)c2)cc1
InChIInChI=1S/C54H35F5N4.C53H39N5.2C50H37N3/c55-49-50(56)52(58)54(53(59)51(49)57)63-47-27-14-13-26-45(47)46-35-44(32-33-48(46)63)62(39-22-11-4-12-23-39)41-30-28-40(29-31-41)61(38-20-9-3-10-21-38)43-25-15-24-42(34-43)60(36-16-5-1-6-17-36)37-18-7-2-8-19-37;1-5-18-40(19-6-1)55(41-20-7-2-8-21-41)46-26-17-27-47(38-46)56(42-22-9-3-10-23-42)44-31-33-45(34-32-44)57(43-24-11-4-12-25-43)48-35-36-52-50(39-48)49-28-13-14-29-51(49)58(52)53-30-15-16-37-54-53;1-5-19-39(20-6-1)51(40-21-7-2-8-22-40)45-27-17-28-46(37-45)52(41-23-9-3-10-24-41)43-32-34-44(35-33-43)53(42-25-11-4-12-26-42)50-36-38-18-13-14-29-47(38)48-30-15-16-31-49(48)50;1-5-18-39(19-6-1)51(40-20-7-2-8-21-40)43-29-31-44(32-30-43)52(41-22-9-3-10-23-41)45-33-35-46(36-34-45)53(42-24-11-4-12-25-42)50-37-38-17-13-14-26-47(38)48-27-15-16-28-49(48)50/h1-35H;1-39H;2*1-37H
InChIKeyKPNCXIWEDFCFRK-UHFFFAOYSA-N
MW2940.56 g/mol
LogP59.28
Rot. Bonds38

About 3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine

3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine (PubChem CID 159202943) has the molecular formula C207H148F5N15 and a molecular weight of 2940.56 g/mol. Its IUPAC name is 3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine
PubChem CID159202943
Molecular FormulaC207H148F5N15
Molecular Weight2940.56 g/mol
Exact Mass2938.20
IUPAC Name3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine
SMILESFc1c(F)c(F)c(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5cccc(N(c6ccccc6)c6ccccc6)c5)cc4)ccc32)c(F)c1F.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccn4)cc3)c2)cc1
InChIInChI=1S/C54H35F5N4.C53H39N5.2C50H37N3/c55-49-50(56)52(58)54(53(59)51(49)57)63-47-27-14-13-26-45(47)46-35-44(32-33-48(46)63)62(39-22-11-4-12-23-39)41-30-28-40(29-31-41)61(38-20-9-3-10-21-38)43-25-15-24-42(34-43)60(36-16-5-1-6-17-36)37-18-7-2-8-19-37;1-5-18-40(19-6-1)55(41-20-7-2-8-21-41)46-26-17-27-47(38-46)56(42-22-9-3-10-23-42)44-31-33-45(34-32-44)57(43-24-11-4-12-25-43)48-35-36-52-50(39-48)49-28-13-14-29-51(49)58(52)53-30-15-16-37-54-53;1-5-19-39(20-6-1)51(40-21-7-2-8-22-40)45-27-17-28-46(37-45)52(41-23-9-3-10-24-41)43-32-34-44(35-33-43)53(42-25-11-4-12-26-42)50-36-38-18-13-14-29-47(38)48-30-15-16-31-49(48)50;1-5-18-39(19-6-1)51(40-20-7-2-8-21-40)43-29-31-44(32-30-43)52(41-22-9-3-10-23-41)45-33-35-46(36-34-45)53(42-24-11-4-12-25-42)50-37-38-17-13-14-26-47(38)48-27-15-16-28-49(48)50/h1-35H;1-39H;2*1-37H
InChIKeyKPNCXIWEDFCFRK-UHFFFAOYSA-N
XLogP59.28
TPSA61.63 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds38
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002940.56
LogP ≤ 559.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine with MolForge

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Related Compounds

3-N-phenanthren-9-yl-1-N-phenyl-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 170410427
4-N-chrysen-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 170410319
9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
CID 90061420
3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830
1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-1-N,3-N-diphenyl-5-(9-pyridin-2-ylcarbazol-3-yl)benzene-1,3-diamine
CID 66838050
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733
N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine
CID 89251617
N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine
CID 153411467
N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine
CID 170138928
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine
CID 140917952

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine?
The IUPAC name of 3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine (CID 159202943) is 3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine is Fc1c(F)c(F)c(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5cccc(N(c6ccccc6)c6ccccc6)c5)cc4)ccc32)c(F)c1F.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccn4)cc3)c2)cc1.
What is the InChIKey of 3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine?
The InChIKey is KPNCXIWEDFCFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35F5N4.C53H39N5.2C50H37N3/c55-49-50(56)52(58)54(53(59)51(49)57)63-47-27-14-13-26-45(47)46-35-44(32-33-48(46)63)62(39-22-11-4-12-23-39)41-30-28-40(29-31-41)61(38-20-9-3-10-21-38)43-25-15-24-42(34-43)60(36-16-5-1-6-17-36)37-18-7-2-8-19-37;1-5-18-40(19-6-1)55(41-20-7-2-8-21-41)46-26-17-27-47(38-46)56(42-22-9-3-10-23-42)44-31-33-45(34-32-44)57(43-24-11-4-12-25-43)48-35-36-52-50(39-48)49-28-13-14-29-51(49)58(52)53-30-15-16-37-54-53;1-5-19-39(20-6-1)51(40-21-7-2-8-22-40)45-27-17-28-46(37-45)52(41-23-9-3-10-24-41)43-32-34-44(35-33-43)53(42-25-11-4-12-26-42)50-36-38-18-13-14-29-47(38)48-30-15-16-31-49(48)50;1-5-18-39(19-6-1)51(40-20-7-2-8-21-40)43-29-31-44(32-30-43)52(41-22-9-3-10-23-41)45-33-35-46(36-34-45)53(42-24-11-4-12-25-42)50-37-38-17-13-14-26-47(38)48-27-15-16-28-49(48)50/h1-35H;1-39H;2*1-37H.
What are the key properties of 3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine?
3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine has a molecular weight of 2940.56 g/mol, XLogP of 59.28, 38 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 159202943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).