N-[3-[2-(9-phenanthren-3-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline

C62H42N2 — CID 118103162

IUPACN-[3-[2-(9-phenanthren-3-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccc6ccccc6c5c4)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C62H42N2/c1-4-17-43(18-5-1)47-34-37-61(58(40-47)44-19-6-2-7-20-44)63(50-23-8-3-9-24-50)51-25-16-22-48(39-51)54-27-12-13-28-55(54)49-35-38-62-59(41-49)56-29-14-15-30-60(56)64(62)52-36-33-46-32-31-45-21-10-11-26-53(45)57(46)42-52/h1-42H
InChIKeyYVRUPOAOKWHVHM-UHFFFAOYSA-N
MW815.03 g/mol
LogP17.23
Rot. Bonds8

About N-[3-[2-(9-phenanthren-3-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline

N-[3-[2-(9-phenanthren-3-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline (PubChem CID 118103162) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is N-[3-[2-(9-phenanthren-3-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline.

Molecular Properties

Compound NameN-[3-[2-(9-phenanthren-3-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline
PubChem CID118103162
Molecular FormulaC62H42N2
Molecular Weight815.03 g/mol
Exact Mass814.33
IUPAC NameN-[3-[2-(9-phenanthren-3-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccc6ccccc6c5c4)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C62H42N2/c1-4-17-43(18-5-1)47-34-37-61(58(40-47)44-19-6-2-7-20-44)63(50-23-8-3-9-24-50)51-25-16-22-48(39-51)54-27-12-13-28-55(54)49-35-38-62-59(41-49)56-29-14-15-30-60(56)64(62)52-36-33-46-32-31-45-21-10-11-26-53(45)57(46)42-52/h1-42H
InChIKeyYVRUPOAOKWHVHM-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-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 142704370
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline
CID 130250077
4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942
N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 168789650
N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline
CID 118087598
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501382
N-(4-carbazol-9-ylphenyl)-4-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158908481
N-(4-naphthalen-1-ylphenyl)-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]aniline
CID 158938030

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(9-phenanthren-3-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline?
The IUPAC name of N-[3-[2-(9-phenanthren-3-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline (CID 118103162) is N-[3-[2-(9-phenanthren-3-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline.
What is the SMILES notation for N-[3-[2-(9-phenanthren-3-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline?
The canonical SMILES for N-[3-[2-(9-phenanthren-3-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccc6ccccc6c5c4)c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-[2-(9-phenanthren-3-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline?
The InChIKey is YVRUPOAOKWHVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-4-17-43(18-5-1)47-34-37-61(58(40-47)44-19-6-2-7-20-44)63(50-23-8-3-9-24-50)51-25-16-22-48(39-51)54-27-12-13-28-55(54)49-35-38-62-59(41-49)56-29-14-15-30-60(56)64(62)52-36-33-46-32-31-45-21-10-11-26-53(45)57(46)42-52/h1-42H.
What are the key properties of N-[3-[2-(9-phenanthren-3-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline?
N-[3-[2-(9-phenanthren-3-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline 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-[3-[2-(9-phenanthren-3-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline is sourced from PubChem (CID 118103162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).