3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine

C50H40N4 — CID 177275887

IUPAC3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
SMILESCCn1c2ccccc2c2ccc(N(c3cccc(N(c4ccccc4)c4ccccc4)c3)c3cccc(N(c4ccccc4)c4ccccc4)c3)cc21
InChIInChI=1S/C50H40N4/c1-2-51-49-32-16-15-31-47(49)48-34-33-46(37-50(48)51)54(44-29-17-27-42(35-44)52(38-19-7-3-8-20-38)39-21-9-4-10-22-39)45-30-18-28-43(36-45)53(40-23-11-5-12-24-40)41-25-13-6-14-26-41/h3-37H,2H2,1H3
InChIKeyFKJPEYDVMIKUOE-UHFFFAOYSA-N
MW696.90 g/mol
LogP14.22
Rot. Bonds10

About 3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine

3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine (PubChem CID 177275887) has the molecular formula C50H40N4 and a molecular weight of 696.90 g/mol. Its IUPAC name is 3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
PubChem CID177275887
Molecular FormulaC50H40N4
Molecular Weight696.90 g/mol
Exact Mass696.33
IUPAC Name3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
SMILESCCn1c2ccccc2c2ccc(N(c3cccc(N(c4ccccc4)c4ccccc4)c3)c3cccc(N(c4ccccc4)c4ccccc4)c3)cc21
InChIInChI=1S/C50H40N4/c1-2-51-49-32-16-15-31-47(49)48-34-33-46(37-50(48)51)54(44-29-17-27-42(35-44)52(38-19-7-3-8-20-38)39-21-9-4-10-22-39)45-30-18-28-43(36-45)53(40-23-11-5-12-24-40)41-25-13-6-14-26-41/h3-37H,2H2,1H3
InChIKeyFKJPEYDVMIKUOE-UHFFFAOYSA-N
XLogP14.22
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.90
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

23-ethyl-N,N-diphenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
CID 89417765
23-ethyl-N,N-bis(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
CID 86677000
9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine
CID 168736679
9-ethyl-7-(2-methylprop-1-enyl)-N,N-diphenylcarbazol-2-amine
CID 168797319
9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 53433854
[4-[bis(9-ethylcarbazol-3-yl)amino]phenyl]-phenylmethanone
CID 177399395
9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)
CID 159037190
9-methyl-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
CID 121465213
9-ethyl-2-methylcarbazole
CID 19788789
9-ethyl-N-[4-[10-[4-(N-(9-ethylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;9-ethyl-N-[4-[10-[4-(N-(9-ethylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;9-methyl-N-[4-[3-methyl-10-[4-(N-(9-methylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine
CID 158145528
9-ethyl-N-[4-[10-[4-(N-(9-ethylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;9-methyl-N-[4-[10-[4-(N-(9-methylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;9-methyl-N-[4-[3-methyl-10-[4-(N-(9-methylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine
CID 159034254
9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360415

Frequently Asked Questions

What is the IUPAC name of 3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine?
The IUPAC name of 3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine (CID 177275887) is 3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine is CCn1c2ccccc2c2ccc(N(c3cccc(N(c4ccccc4)c4ccccc4)c3)c3cccc(N(c4ccccc4)c4ccccc4)c3)cc21.
What is the InChIKey of 3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine?
The InChIKey is FKJPEYDVMIKUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N4/c1-2-51-49-32-16-15-31-47(49)48-34-33-46(37-50(48)51)54(44-29-17-27-42(35-44)52(38-19-7-3-8-20-38)39-21-9-4-10-22-39)45-30-18-28-43(36-45)53(40-23-11-5-12-24-40)41-25-13-6-14-26-41/h3-37H,2H2,1H3.
What are the key properties of 3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine?
3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine has a molecular weight of 696.90 g/mol, XLogP of 14.22, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 177275887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).