N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline

C72H49N3 — CID 172501726

IUPACN-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C72H49N3/c1-4-20-52(21-5-1)59-26-10-11-27-60(59)61-28-12-13-29-62(61)63-30-14-17-33-68(63)73(57-42-36-50(37-43-57)53-41-47-71-67(48-53)65-32-16-19-35-70(65)74(71)55-22-6-2-7-23-55)58-44-38-51(39-45-58)54-40-46-66-64-31-15-18-34-69(64)75(72(66)49-54)56-24-8-3-9-25-56/h1-49H
InChIKeyWLINBBQFAVVCLZ-UHFFFAOYSA-N
MW956.21 g/mol
LogP19.69
Rot. Bonds10

About N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline

N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline (PubChem CID 172501726) has the molecular formula C72H49N3 and a molecular weight of 956.21 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
PubChem CID172501726
Molecular FormulaC72H49N3
Molecular Weight956.21 g/mol
Exact Mass955.39
IUPAC NameN-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C72H49N3/c1-4-20-52(21-5-1)59-26-10-11-27-60(59)61-28-12-13-29-62(61)63-30-14-17-33-68(63)73(57-42-36-50(37-43-57)53-41-47-71-67(48-53)65-32-16-19-35-70(65)74(71)55-22-6-2-7-23-55)58-44-38-51(39-45-58)54-40-46-66-64-31-15-18-34-69(64)75(72(66)49-54)56-24-8-3-9-25-56/h1-49H
InChIKeyWLINBBQFAVVCLZ-UHFFFAOYSA-N
XLogP19.69
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.21
LogP ≤ 519.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502041
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501382
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
9-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172500939
N,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118337780
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168788688
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502154
9-phenyl-N-[2-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501219
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline (CID 172501726) is N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?
The InChIKey is WLINBBQFAVVCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49N3/c1-4-20-52(21-5-1)59-26-10-11-27-60(59)61-28-12-13-29-62(61)63-30-14-17-33-68(63)73(57-42-36-50(37-43-57)53-41-47-71-67(48-53)65-32-16-19-35-70(65)74(71)55-22-6-2-7-23-55)58-44-38-51(39-45-58)54-40-46-66-64-31-15-18-34-69(64)75(72(66)49-54)56-24-8-3-9-25-56/h1-49H.
What are the key properties of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline has a molecular weight of 956.21 g/mol, XLogP of 19.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 172501726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).