N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline

C66H46N2 — CID 122524703

IUPACN-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-5-13-47(14-6-1)50-21-25-52(26-22-50)54-29-37-60(38-30-54)67(59-19-11-4-12-20-59)61-39-33-56(34-40-61)58-36-44-66-64(46-58)63-45-57(49-17-9-3-10-18-49)35-43-65(63)68(66)62-41-31-55(32-42-62)53-27-23-51(24-28-53)48-15-7-2-8-16-48/h1-46H
InChIKeyWMKFEDJBDXBIEA-UHFFFAOYSA-N
MW867.11 g/mol
LogP18.26
Rot. Bonds10

About N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline

N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline (PubChem CID 122524703) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
PubChem CID122524703
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC NameN-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-5-13-47(14-6-1)50-21-25-52(26-22-50)54-29-37-60(38-30-54)67(59-19-11-4-12-20-59)61-39-33-56(34-40-61)58-36-44-66-64(46-58)63-45-57(49-17-9-3-10-18-49)35-43-65(63)68(66)62-41-31-55(32-42-62)53-27-23-51(24-28-53)48-15-7-2-8-16-48/h1-46H
InChIKeyWMKFEDJBDXBIEA-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

N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
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
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-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
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
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline?
The IUPAC name of N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline (CID 122524703) is N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline.
What is the SMILES notation for N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline?
The canonical SMILES for N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline?
The InChIKey is WMKFEDJBDXBIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-5-13-47(14-6-1)50-21-25-52(26-22-50)54-29-37-60(38-30-54)67(59-19-11-4-12-20-59)61-39-33-56(34-40-61)58-36-44-66-64(46-58)63-45-57(49-17-9-3-10-18-49)35-43-65(63)68(66)62-41-31-55(32-42-62)53-27-23-51(24-28-53)48-15-7-2-8-16-48/h1-46H.
What are the key properties of N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline?
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]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-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline is sourced from PubChem (CID 122524703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).