N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine

C48H32N2 — CID 58273881

IUPACN-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C48H32N2/c1-2-16-36(17-3-1)49(37-28-30-38(31-29-37)50-45-24-12-10-18-39(45)40-19-11-13-25-46(40)50)48-43-22-8-6-20-41(43)47(42-21-7-9-23-44(42)48)35-27-26-33-14-4-5-15-34(33)32-35/h1-32H
InChIKeyRDUURNXCBHASPL-UHFFFAOYSA-N
MW636.80 g/mol
LogP13.38
Rot. Bonds5

About N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine

N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine (PubChem CID 58273881) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine
PubChem CID58273881
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC NameN-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C48H32N2/c1-2-16-36(17-3-1)49(37-28-30-38(31-29-37)50-45-24-12-10-18-39(45)40-19-11-13-25-46(40)50)48-43-22-8-6-20-41(43)47(42-21-7-9-23-44(42)48)35-27-26-33-14-4-5-15-34(33)32-35/h1-32H
InChIKeyRDUURNXCBHASPL-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_2', 'substructure': 'N/A'}

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine (CID 58273881) is N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine is c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine?
The InChIKey is RDUURNXCBHASPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-2-16-36(17-3-1)49(37-28-30-38(31-29-37)50-45-24-12-10-18-39(45)40-19-11-13-25-46(40)50)48-43-22-8-6-20-41(43)47(42-21-7-9-23-44(42)48)35-27-26-33-14-4-5-15-34(33)32-35/h1-32H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine?
N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-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-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine is sourced from PubChem (CID 58273881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).