N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline

C62H42N2 — CID 168789636

IUPACN-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C62H42N2/c1-3-18-43(19-4-1)50-23-9-12-29-57(50)62-52(44-20-5-2-6-21-44)30-17-33-61(62)63(48-38-40-49(41-39-48)64-59-31-15-13-27-55(59)56-28-14-16-32-60(56)64)47-36-34-45(35-37-47)58-42-46-22-7-8-24-51(46)53-25-10-11-26-54(53)58/h1-42H
InChIKeyTWQNFMURTCYMTP-UHFFFAOYSA-N
MW815.03 g/mol
LogP17.23
Rot. Bonds8

About N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline

N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (PubChem CID 168789636) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
PubChem CID168789636
Molecular FormulaC62H42N2
Molecular Weight815.03 g/mol
Exact Mass814.33
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C62H42N2/c1-3-18-43(19-4-1)50-23-9-12-29-57(50)62-52(44-20-5-2-6-21-44)30-17-33-61(62)63(48-38-40-49(41-39-48)64-59-31-15-13-27-55(59)56-28-14-16-32-60(56)64)47-36-34-45(35-37-47)58-42-46-22-7-8-24-51(46)53-25-10-11-26-54(53)58/h1-42H
InChIKeyTWQNFMURTCYMTP-UHFFFAOYSA-N
XLogP17.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.03
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbazol-9-ylphenyl)-2-phenanthren-9-yl-N,3-bis(4-phenylphenyl)aniline
CID 177274974
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790793
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788793
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 168790882
N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790997
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)naphthalen-1-amine
CID 146580920
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-2-amine
CID 168790813
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168790792
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168788660
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790590
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168788688
N-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine
CID 121282949

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (CID 168789636) is N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The InChIKey is TWQNFMURTCYMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-3-18-43(19-4-1)50-23-9-12-29-57(50)62-52(44-20-5-2-6-21-44)30-17-33-61(62)63(48-38-40-49(41-39-48)64-59-31-15-13-27-55(59)56-28-14-16-32-60(56)64)47-36-34-45(35-37-47)58-42-46-22-7-8-24-51(46)53-25-10-11-26-54(53)58/h1-42H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline has a molecular weight of 815.03 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 168789636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).