N-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine

C54H36N2 — CID 170139000

IUPACN-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5ccccc5c5ccc6ccccc6c45)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1
InChIInChI=1S/C54H36N2/c1-3-14-37(15-4-1)40-18-13-21-44(34-40)55(45-31-33-49-48-24-11-12-25-52(48)56(53(49)36-45)42-19-5-2-6-20-42)43-29-26-39(27-30-43)51-35-41-17-8-9-22-46(41)50-32-28-38-16-7-10-23-47(38)54(50)51/h1-36H
InChIKeyCJALXUGNSCDVEN-UHFFFAOYSA-N
MW712.90 g/mol
LogP15.05
Rot. Bonds6

About N-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine

N-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine (PubChem CID 170139000) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is N-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
PubChem CID170139000
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC NameN-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5ccccc5c5ccc6ccccc6c45)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1
InChIInChI=1S/C54H36N2/c1-3-14-37(15-4-1)40-18-13-21-44(34-40)55(45-31-33-49-48-24-11-12-25-52(48)56(53(49)36-45)42-19-5-2-6-20-42)43-29-26-39(27-30-43)51-35-41-17-8-9-22-46(41)50-32-28-38-16-7-10-23-47(38)54(50)51/h1-36H
InChIKeyCJALXUGNSCDVEN-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 515.05
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-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline
CID 170177898
3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 146663142
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
CID 166660445
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
N-(4-phenanthren-2-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167196251
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 168809328
3-(5,9-diphenylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660170
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline;4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 159415569
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 174258383
N-(4-phenanthren-2-ylphenyl)-3-phenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 166660622
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660110
3-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 163482602

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine (CID 170139000) is N-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine is c1ccc(-c2cccc(N(c3ccc(-c4cc5ccccc5c5ccc6ccccc6c45)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1.
What is the InChIKey of N-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine?
The InChIKey is CJALXUGNSCDVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-3-14-37(15-4-1)40-18-13-21-44(34-40)55(45-31-33-49-48-24-11-12-25-52(48)56(53(49)36-45)42-19-5-2-6-20-42)43-29-26-39(27-30-43)51-35-41-17-8-9-22-46(41)50-32-28-38-16-7-10-23-47(38)54(50)51/h1-36H.
What are the key properties of N-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine?
N-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine has a molecular weight of 712.90 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chrysen-5-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 170139000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).