N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline

C66H46N2 — CID 121312772

IUPACN-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)cc5)cc4)c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-4-14-47(15-5-1)50-26-30-54(31-27-50)56-20-12-22-61(44-56)67(62-23-13-21-57(45-62)55-32-28-51(29-33-55)48-16-6-2-7-17-48)59-39-34-52(35-40-59)53-36-41-60(42-37-53)68-65-25-11-10-24-63(65)64-46-58(38-43-66(64)68)49-18-8-3-9-19-49/h1-46H
InChIKeyBYXVAOJORYXDCV-UHFFFAOYSA-N
MW867.11 g/mol
LogP18.26
Rot. Bonds10

About N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline

N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline (PubChem CID 121312772) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
PubChem CID121312772
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC NameN-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)cc5)cc4)c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-4-14-47(15-5-1)50-26-30-54(31-27-50)56-20-12-22-61(44-56)67(62-23-13-21-57(45-62)55-32-28-51(29-33-55)48-16-6-2-7-17-48)59-39-34-52(35-40-59)53-36-41-60(42-37-53)68-65-25-11-10-24-63(65)64-46-58(38-43-66(64)68)49-18-8-3-9-19-49/h1-46H
InChIKeyBYXVAOJORYXDCV-UHFFFAOYSA-N
XLogP18.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.11
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
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
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[3-[3-[2-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]carbazol-2-amine
CID 158451269
1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 70645467

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline (CID 121312772) is N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)cc5)cc4)c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)cc2)cc1.
What is the InChIKey of N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline?
The InChIKey is BYXVAOJORYXDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-4-14-47(15-5-1)50-26-30-54(31-27-50)56-20-12-22-61(44-56)67(62-23-13-21-57(45-62)55-32-28-51(29-33-55)48-16-6-2-7-17-48)59-39-34-52(35-40-59)53-36-41-60(42-37-53)68-65-25-11-10-24-63(65)64-46-58(38-43-66(64)68)49-18-8-3-9-19-49/h1-46H.
What are the key properties of N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline?
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline has a molecular weight of 867.11 g/mol, XLogP of 18.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 121312772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).