1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine

C66H48N4 — CID 177275922

IUPAC1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(N(c4cccc(N(c5ccccc5)c5ccccc5)c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C66H48N4/c1-6-22-49(23-7-1)61-36-16-17-37-62(61)50-40-42-55(43-41-50)68(53-28-12-4-13-29-53)57-33-21-35-59(47-57)69(58-34-20-32-56(46-58)67(51-24-8-2-9-25-51)52-26-10-3-11-27-52)60-44-45-66-64(48-60)63-38-18-19-39-65(63)70(66)54-30-14-5-15-31-54/h1-48H
InChIKeyLYVCIWCCQDFSRW-UHFFFAOYSA-N
MW897.14 g/mol
LogP18.53
Rot. Bonds12

About 1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine

1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine (PubChem CID 177275922) has the molecular formula C66H48N4 and a molecular weight of 897.14 g/mol. Its IUPAC name is 1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
PubChem CID177275922
Molecular FormulaC66H48N4
Molecular Weight897.14 g/mol
Exact Mass896.39
IUPAC Name1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(N(c4cccc(N(c5ccccc5)c5ccccc5)c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C66H48N4/c1-6-22-49(23-7-1)61-36-16-17-37-62(61)50-40-42-55(43-41-50)68(53-28-12-4-13-29-53)57-33-21-35-59(47-57)69(58-34-20-32-56(46-58)67(51-24-8-2-9-25-51)52-26-10-3-11-27-52)60-44-45-66-64(48-60)63-38-18-19-39-65(63)70(66)54-30-14-5-15-31-54/h1-48H
InChIKeyLYVCIWCCQDFSRW-UHFFFAOYSA-N
XLogP18.53
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.14
LogP ≤ 518.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(2-phenylphenyl)-3-N-[3-(N-(2-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 177275849
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-phenyl-3-(9-phenylcarbazol-3-yl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788475
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
3-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168789959
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275807
N-(3-carbazol-9-ylphenyl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010115
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine?
The IUPAC name of 1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine (CID 177275922) is 1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine?
The canonical SMILES for 1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine is c1ccc(-c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(N(c4cccc(N(c5ccccc5)c5ccccc5)c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine?
The InChIKey is LYVCIWCCQDFSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N4/c1-6-22-49(23-7-1)61-36-16-17-37-62(61)50-40-42-55(43-41-50)68(53-28-12-4-13-29-53)57-33-21-35-59(47-57)69(58-34-20-32-56(46-58)67(51-24-8-2-9-25-51)52-26-10-3-11-27-52)60-44-45-66-64(48-60)63-38-18-19-39-65(63)70(66)54-30-14-5-15-31-54/h1-48H.
What are the key properties of 1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine?
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine has a molecular weight of 897.14 g/mol, XLogP of 18.53, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 177275922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).