4-[4-[2-(10-benzylphenanthren-4-yl)carbazol-9-yl]phenyl]-N,N-diphenylaniline

C57H40N2 — CID 144831006

IUPAC4-[4-[2-(10-benzylphenanthren-4-yl)carbazol-9-yl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(Cc2cc3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)c5c4)cccc23)cc1
InChIInChI=1S/C57H40N2/c1-4-15-40(16-5-1)37-45-38-43-17-10-11-22-50(43)57-51(24-14-25-52(45)57)44-31-36-54-53-23-12-13-26-55(53)59(56(54)39-44)49-34-29-42(30-35-49)41-27-32-48(33-28-41)58(46-18-6-2-7-19-46)47-20-8-3-9-21-47/h1-36,38-39H,37H2
InChIKeyDQVPRYVMAHKJOY-UHFFFAOYSA-N
MW752.96 g/mol
LogP15.48
Rot. Bonds8

About 4-[4-[2-(10-benzylphenanthren-4-yl)carbazol-9-yl]phenyl]-N,N-diphenylaniline

4-[4-[2-(10-benzylphenanthren-4-yl)carbazol-9-yl]phenyl]-N,N-diphenylaniline (PubChem CID 144831006) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is 4-[4-[2-(10-benzylphenanthren-4-yl)carbazol-9-yl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4-[2-(10-benzylphenanthren-4-yl)carbazol-9-yl]phenyl]-N,N-diphenylaniline
PubChem CID144831006
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC Name4-[4-[2-(10-benzylphenanthren-4-yl)carbazol-9-yl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(Cc2cc3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)c5c4)cccc23)cc1
InChIInChI=1S/C57H40N2/c1-4-15-40(16-5-1)37-45-38-43-17-10-11-22-50(43)57-51(24-14-25-52(45)57)44-31-36-54-53-23-12-13-26-55(53)59(56(54)39-44)49-34-29-42(30-35-49)41-27-32-48(33-28-41)58(46-18-6-2-7-19-46)47-20-8-3-9-21-47/h1-36,38-39H,37H2
InChIKeyDQVPRYVMAHKJOY-UHFFFAOYSA-N
XLogP15.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 515.48
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-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline
CID 144830813
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627984
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118901515
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380154
N-(4-carbazol-9-ylphenyl)-4-(8-naphthalen-1-ylnaphthalen-1-yl)-N-phenylaniline
CID 170380175
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687
N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118034825
N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-yl-3-phenylphenyl)-N-phenylaniline
CID 167003310
N-naphthalen-1-yl-N-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627950
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(10-benzylphenanthren-4-yl)carbazol-9-yl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[4-[2-(10-benzylphenanthren-4-yl)carbazol-9-yl]phenyl]-N,N-diphenylaniline (CID 144831006) is 4-[4-[2-(10-benzylphenanthren-4-yl)carbazol-9-yl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4-[2-(10-benzylphenanthren-4-yl)carbazol-9-yl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4-[2-(10-benzylphenanthren-4-yl)carbazol-9-yl]phenyl]-N,N-diphenylaniline is c1ccc(Cc2cc3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)c5c4)cccc23)cc1.
What is the InChIKey of 4-[4-[2-(10-benzylphenanthren-4-yl)carbazol-9-yl]phenyl]-N,N-diphenylaniline?
The InChIKey is DQVPRYVMAHKJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-4-15-40(16-5-1)37-45-38-43-17-10-11-22-50(43)57-51(24-14-25-52(45)57)44-31-36-54-53-23-12-13-26-55(53)59(56(54)39-44)49-34-29-42(30-35-49)41-27-32-48(33-28-41)58(46-18-6-2-7-19-46)47-20-8-3-9-21-47/h1-36,38-39H,37H2.
What are the key properties of 4-[4-[2-(10-benzylphenanthren-4-yl)carbazol-9-yl]phenyl]-N,N-diphenylaniline?
4-[4-[2-(10-benzylphenanthren-4-yl)carbazol-9-yl]phenyl]-N,N-diphenylaniline has a molecular weight of 752.96 g/mol, XLogP of 15.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(10-benzylphenanthren-4-yl)carbazol-9-yl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 144831006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).