N-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine

C45H32N2 — CID 58273909

IUPACN-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine
SMILESCc1ccc2c(-c3ccccc3)c3ccccc3c(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2c1
InChIInChI=1S/C45H32N2/c1-31-25-27-38-41(29-31)45(39-23-12-11-22-37(39)44(38)32-15-5-2-6-16-32)46(33-17-7-3-8-18-33)35-26-28-43-40(30-35)36-21-13-14-24-42(36)47(43)34-19-9-4-10-20-34/h2-30H,1H3
InChIKeyVPFFVSCJBNYXPN-UHFFFAOYSA-N
MW600.77 g/mol
LogP12.54
Rot. Bonds5

About N-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine

N-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine (PubChem CID 58273909) has the molecular formula C45H32N2 and a molecular weight of 600.77 g/mol. Its IUPAC name is N-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine
PubChem CID58273909
Molecular FormulaC45H32N2
Molecular Weight600.77 g/mol
Exact Mass600.26
IUPAC NameN-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine
SMILESCc1ccc2c(-c3ccccc3)c3ccccc3c(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2c1
InChIInChI=1S/C45H32N2/c1-31-25-27-38-41(29-31)45(39-23-12-11-22-37(39)44(38)32-15-5-2-6-16-32)46(33-17-7-3-8-18-33)35-26-28-43-40(30-35)36-21-13-14-24-42(36)47(43)34-19-9-4-10-20-34/h2-30H,1H3
InChIKeyVPFFVSCJBNYXPN-UHFFFAOYSA-N
XLogP12.54
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine
CID 59010583
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888
2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine
CID 172546753
N-[4-[3-methyl-10-[4-(N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenyl-6-(4-phenylphenyl)carbazol-3-amine
CID 59010605
6-methyl-N-[4-[10-[4-(N-(6-methyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[3-methyl-10-[4-(N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenyl-6-(4-phenylphenyl)carbazol-3-amine
CID 158721226
N-(4-carbazol-9-ylphenyl)-4-(2-methyl-10-phenylanthracen-9-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(3-methyl-10-phenylanthracen-9-yl)-N-phenylaniline
CID 158366051
9-methyl-N-[4-[10-[4-(N-(9-methylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;N-[4-[3-methyl-10-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-phenyl-9-(4-phenylphenyl)-N-[4-[10-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
CID 161274378
ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 143301599
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
6-ethyl-N-[4-[10-[4-(N-(6-ethyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine;6-methyl-N-[4-[3-methyl-10-[4-(N-(6-methyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine;6-methyl-N-[4-[10-[4-(N-(6-methyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 159561442
N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
CID 158152946
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine (CID 58273909) is N-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine is Cc1ccc2c(-c3ccccc3)c3ccccc3c(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2c1.
What is the InChIKey of N-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine?
The InChIKey is VPFFVSCJBNYXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2/c1-31-25-27-38-41(29-31)45(39-23-12-11-22-37(39)44(38)32-15-5-2-6-16-32)46(33-17-7-3-8-18-33)35-26-28-43-40(30-35)36-21-13-14-24-42(36)47(43)34-19-9-4-10-20-34/h2-30H,1H3.
What are the key properties of N-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine?
N-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine has a molecular weight of 600.77 g/mol, XLogP of 12.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 58273909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).