2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine

C182H125N13 — CID 157249821

IUPAC2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine
SMILESc1ccc(N(c2ccc3c(c2)c2c4ccccc4ccc2n3-c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C66H45N5.2C58H40N4/c1-6-22-46(23-7-1)67(51-38-40-56-54-32-16-19-35-59(54)69(62(56)42-51)48-26-10-3-11-27-48)53-44-64(66-58-34-18-21-37-61(58)71(65(66)45-53)50-30-14-5-15-31-50)68(47-24-8-2-9-25-47)52-39-41-57-55-33-17-20-36-60(55)70(63(57)43-52)49-28-12-4-13-29-49;1-6-22-43(23-7-1)59(48-34-35-54-52(38-48)51-36-41-20-16-17-21-42(41)37-55(51)61(54)46-28-12-4-13-29-46)49-39-56(60(44-24-8-2-9-25-44)45-26-10-3-11-27-45)58-50-32-18-19-33-53(50)62(57(58)40-49)47-30-14-5-15-31-47;1-6-21-42(22-7-1)59(47-35-37-53-51(38-47)57-49-31-17-16-20-41(49)34-36-54(57)61(53)45-27-12-4-13-28-45)48-39-55(60(43-23-8-2-9-24-43)44-25-10-3-11-26-44)58-50-32-18-19-33-52(50)62(56(58)40-48)46-29-14-5-15-30-46/h1-45H;2*1-40H
InChIKeyAWFCJACXEHVLQM-UHFFFAOYSA-N
MW2494.09 g/mol
LogP49.86
Rot. Bonds25

About 2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine

2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine (PubChem CID 157249821) has the molecular formula C182H125N13 and a molecular weight of 2494.09 g/mol. Its IUPAC name is 2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine
PubChem CID157249821
Molecular FormulaC182H125N13
Molecular Weight2494.09 g/mol
Exact Mass2492.02
IUPAC Name2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine
SMILESc1ccc(N(c2ccc3c(c2)c2c4ccccc4ccc2n3-c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C66H45N5.2C58H40N4/c1-6-22-46(23-7-1)67(51-38-40-56-54-32-16-19-35-59(54)69(62(56)42-51)48-26-10-3-11-27-48)53-44-64(66-58-34-18-21-37-61(58)71(65(66)45-53)50-30-14-5-15-31-50)68(47-24-8-2-9-25-47)52-39-41-57-55-33-17-20-36-60(55)70(63(57)43-52)49-28-12-4-13-29-49;1-6-22-43(23-7-1)59(48-34-35-54-52(38-48)51-36-41-20-16-17-21-42(41)37-55(51)61(54)46-28-12-4-13-29-46)49-39-56(60(44-24-8-2-9-25-44)45-26-10-3-11-27-45)58-50-32-18-19-33-53(50)62(57(58)40-49)47-30-14-5-15-31-47;1-6-21-42(22-7-1)59(47-35-37-53-51(38-47)57-49-31-17-16-20-41(49)34-36-54(57)61(53)45-27-12-4-13-28-45)48-39-55(60(43-23-8-2-9-24-43)44-25-10-3-11-26-44)58-50-32-18-19-33-52(50)62(56(58)40-48)46-29-14-5-15-30-46/h1-45H;2*1-40H
InChIKeyAWFCJACXEHVLQM-UHFFFAOYSA-N
XLogP49.86
TPSA53.95 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002494.09
LogP ≤ 549.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine with MolForge

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Related Compounds

9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine
CID 154965674
N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine
CID 170138928
4-N-chrysen-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 170410319
9-N,15-N-bis(4-benzo[c]carbazol-7-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 154593333
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733
N-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine
CID 167182825
N-[4-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline;N-(4-benzo[a]carbazol-11-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-benzo[b]carbazol-5-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 159727849
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
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)aniline
CID 139500549
11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine
CID 154965731
N-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine
CID 176588168
N,3-diphenyl-N-[3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]aniline
CID 139500098

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine (CID 157249821) is 2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine is c1ccc(N(c2ccc3c(c2)c2c4ccccc4ccc2n3-c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine?
The InChIKey is AWFCJACXEHVLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N5.2C58H40N4/c1-6-22-46(23-7-1)67(51-38-40-56-54-32-16-19-35-59(54)69(62(56)42-51)48-26-10-3-11-27-48)53-44-64(66-58-34-18-21-37-61(58)71(65(66)45-53)50-30-14-5-15-31-50)68(47-24-8-2-9-25-47)52-39-41-57-55-33-17-20-36-60(55)70(63(57)43-52)49-28-12-4-13-29-49;1-6-22-43(23-7-1)59(48-34-35-54-52(38-48)51-36-41-20-16-17-21-42(41)37-55(51)61(54)46-28-12-4-13-29-46)49-39-56(60(44-24-8-2-9-25-44)45-26-10-3-11-27-45)58-50-32-18-19-33-53(50)62(57(58)40-49)47-30-14-5-15-31-47;1-6-21-42(22-7-1)59(47-35-37-53-51(38-47)57-49-31-17-16-20-41(49)34-36-54(57)61(53)45-27-12-4-13-28-45)48-39-55(60(43-23-8-2-9-24-43)44-25-10-3-11-26-44)58-50-32-18-19-33-52(50)62(56(58)40-48)46-29-14-5-15-30-46/h1-45H;2*1-40H.
What are the key properties of 2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine?
2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine has a molecular weight of 2494.09 g/mol, XLogP of 49.86, 25 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine is sourced from PubChem (CID 157249821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).