9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole

C47H30N2 — CID 90249684

IUPAC9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole
SMILESc1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc45)cc3)ncc2c1
InChIInChI=1S/C47H30N2/c1-2-12-35-30-48-43(29-34(35)11-1)31-21-23-32(24-22-31)46-39-15-3-5-17-41(39)47(42-18-6-4-16-40(42)46)33-25-27-36(28-26-33)49-44-19-9-7-13-37(44)38-14-8-10-20-45(38)49/h1-30H
InChIKeyRBOJRQWHQUTSQV-UHFFFAOYSA-N
MW622.77 g/mol
LogP12.64
Rot. Bonds4

About 9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole

9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole (PubChem CID 90249684) has the molecular formula C47H30N2 and a molecular weight of 622.77 g/mol. Its IUPAC name is 9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole
PubChem CID90249684
Molecular FormulaC47H30N2
Molecular Weight622.77 g/mol
Exact Mass622.24
IUPAC Name9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole
SMILESc1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc45)cc3)ncc2c1
InChIInChI=1S/C47H30N2/c1-2-12-35-30-48-43(29-34(35)11-1)31-21-23-32(24-22-31)46-39-15-3-5-17-41(39)47(42-18-6-4-16-40(42)46)33-25-27-36(28-26-33)49-44-19-9-7-13-37(44)38-14-8-10-20-45(38)49/h1-30H
InChIKeyRBOJRQWHQUTSQV-UHFFFAOYSA-N
XLogP12.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 512.64
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

9-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]carbazole
CID 58273441
9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole
CID 59372038
9-phenyl-2-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]carbazole
CID 147817509
9-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole
CID 58876173
9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 58879515
9-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]carbazole
CID 118027278
5-phenyl-3-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]benzo[b]carbazole
CID 153144473
5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole
CID 134531069
9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole
CID 59220884
9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole
CID 58099080
5-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 153314337

Frequently Asked Questions

What is the IUPAC name of 9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole (CID 90249684) is 9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole is c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc45)cc3)ncc2c1.
What is the InChIKey of 9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole?
The InChIKey is RBOJRQWHQUTSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2/c1-2-12-35-30-48-43(29-34(35)11-1)31-21-23-32(24-22-31)46-39-15-3-5-17-41(39)47(42-18-6-4-16-40(42)46)33-25-27-36(28-26-33)49-44-19-9-7-13-37(44)38-14-8-10-20-45(38)49/h1-30H.
What are the key properties of 9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole?
9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole has a molecular weight of 622.77 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[10-(4-isoquinolin-3-ylphenyl)anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 90249684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).