N,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine

C44H30N2 — CID 166133424

IUPACN,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine
SMILESc1ccc(-c2ccc3c([nH]c4ccccc43)c2-c2ccc3c(ccc4ccccc43)c2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H30N2/c1-4-14-30(15-5-1)35-26-28-38-37-22-12-13-23-41(37)45-43(38)42(35)40-29-27-36-34-21-11-10-16-31(34)24-25-39(36)44(40)46(32-17-6-2-7-18-32)33-19-8-3-9-20-33/h1-29,45H
InChIKeyOEXYNACNDKMRAQ-UHFFFAOYSA-N
MW586.74 g/mol
LogP12.43
Rot. Bonds5

About N,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine

N,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine (PubChem CID 166133424) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is N,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine.

Molecular Properties

Compound NameN,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine
PubChem CID166133424
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC NameN,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine
SMILESc1ccc(-c2ccc3c([nH]c4ccccc43)c2-c2ccc3c(ccc4ccccc43)c2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H30N2/c1-4-14-30(15-5-1)35-26-28-38-37-22-12-13-23-41(37)45-43(38)42(35)40-29-27-36-34-21-11-10-16-31(34)24-25-39(36)44(40)46(32-17-6-2-7-18-32)33-19-8-3-9-20-33/h1-29,45H
InChIKeyOEXYNACNDKMRAQ-UHFFFAOYSA-N
XLogP12.43
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 512.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-1-[2-(2-phenylphenyl)phenyl]-9H-carbazole
CID 175810987
N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 166133613
N-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]naphthalen-1-amine
CID 175536282
16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
CID 86153881
2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline
CID 166135032
2-phenyl-9H-carbazol-1-ol
CID 118682381
N-(4-phenanthren-9-ylphenyl)-3-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527319
N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526975
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
4-chrysen-2-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170141753
4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141564
3-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 170141071

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine?
The IUPAC name of N,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine (CID 166133424) is N,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine.
What is the SMILES notation for N,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine?
The canonical SMILES for N,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine is c1ccc(-c2ccc3c([nH]c4ccccc43)c2-c2ccc3c(ccc4ccccc43)c2N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine?
The InChIKey is OEXYNACNDKMRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c1-4-14-30(15-5-1)35-26-28-38-37-22-12-13-23-41(37)45-43(38)42(35)40-29-27-36-34-21-11-10-16-31(34)24-25-39(36)44(40)46(32-17-6-2-7-18-32)33-19-8-3-9-20-33/h1-29,45H.
What are the key properties of N,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine?
N,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine has a molecular weight of 586.74 g/mol, XLogP of 12.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine is sourced from PubChem (CID 166133424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).