N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine

C48H32N2 — CID 170138786

IUPACN-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(ccc4c5ccccc5ccc34)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H32N2/c1-3-13-33(14-4-1)41-19-9-11-21-46(41)49(37-25-29-40-35(31-37)24-28-42-39-18-8-7-15-34(39)23-27-43(40)42)38-26-30-45-44-20-10-12-22-47(44)50(48(45)32-38)36-16-5-2-6-17-36/h1-32H
InChIKeyQYWSYWGOUYKSTA-UHFFFAOYSA-N
MW636.80 g/mol
LogP13.38
Rot. Bonds5

About N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine

N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine (PubChem CID 170138786) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
PubChem CID170138786
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC NameN-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(ccc4c5ccccc5ccc34)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H32N2/c1-3-13-33(14-4-1)41-19-9-11-21-46(41)49(37-25-29-40-35(31-37)24-28-42-39-18-8-7-15-34(39)23-27-43(40)42)38-26-30-45-44-20-10-12-22-47(44)50(48(45)32-38)36-16-5-2-6-17-36/h1-32H
InChIKeyQYWSYWGOUYKSTA-UHFFFAOYSA-N
XLogP13.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 513.38
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-phenanthren-2-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501369
N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
CID 146228501
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 174258182
9-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 130250239
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
CID 158749383
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 174258400
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
N-phenanthren-2-yl-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-4-amine
CID 172501232
N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170138552
9-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172500939
4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine
CID 154965993
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501973

Frequently Asked Questions

What is the IUPAC name of N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine (CID 170138786) is N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccccc2N(c2ccc3c(ccc4c5ccccc5ccc34)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine?
The InChIKey is QYWSYWGOUYKSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-13-33(14-4-1)41-19-9-11-21-46(41)49(37-25-29-40-35(31-37)24-28-42-39-18-8-7-15-34(39)23-27-43(40)42)38-26-30-45-44-20-10-12-22-47(44)50(48(45)32-38)36-16-5-2-6-17-36/h1-32H.
What are the key properties of N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine?
N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine has a molecular weight of 636.80 g/mol, XLogP of 13.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 170138786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).