9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole

C49H32N2 — CID 146920901

IUPAC9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cn4)c4ccccc34)cc2)cc1
InChIInChI=1S/C49H32N2/c1-3-14-33(15-4-1)34-26-28-35(29-27-34)47-40-19-7-9-21-42(40)48(43-22-10-8-20-41(43)47)45-31-30-36(32-50-45)38-23-13-24-44-39-18-11-12-25-46(39)51(49(38)44)37-16-5-2-6-17-37/h1-32H
InChIKeyADDXKDYABHVUHQ-UHFFFAOYSA-N
MW648.81 g/mol
LogP13.15
Rot. Bonds5

About 9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole

9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole (PubChem CID 146920901) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole.

Molecular Properties

Compound Name9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole
PubChem CID146920901
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cn4)c4ccccc34)cc2)cc1
InChIInChI=1S/C49H32N2/c1-3-14-33(15-4-1)34-26-28-35(29-27-34)47-40-19-7-9-21-42(40)48(43-22-10-8-20-41(43)47)45-31-30-36(32-50-45)38-23-13-24-44-39-18-11-12-25-46(39)51(49(38)44)37-16-5-2-6-17-37/h1-32H
InChIKeyADDXKDYABHVUHQ-UHFFFAOYSA-N
XLogP13.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 513.15
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-phenyl-2-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]carbazole
CID 147817509
9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole
CID 130377342
11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole
CID 134531039
7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole
CID 134531040
1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole
CID 146397378
9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
1-phenyl-9-[4-(4-quinoxalin-2-ylphenyl)phenyl]carbazole
CID 172765274
1-(3-methyl-4-phenylphenyl)-9-phenylcarbazole
CID 146397471
1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole
CID 161458696
5-phenyl-3-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]benzo[b]carbazole
CID 153144473
9-phenyl-1-(3-triphenylen-2-ylphenyl)carbazole
CID 118014216

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole?
The IUPAC name of 9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole (CID 146920901) is 9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole.
What is the SMILES notation for 9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole?
The canonical SMILES for 9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cn4)c4ccccc34)cc2)cc1.
What is the InChIKey of 9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole?
The InChIKey is ADDXKDYABHVUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-3-14-33(15-4-1)34-26-28-35(29-27-34)47-40-19-7-9-21-42(40)48(43-22-10-8-20-41(43)47)45-31-30-36(32-50-45)38-23-13-24-44-39-18-11-12-25-46(39)51(49(38)44)37-16-5-2-6-17-37/h1-32H.
What are the key properties of 9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole?
9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole has a molecular weight of 648.81 g/mol, XLogP of 13.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole is sourced from PubChem (CID 146920901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).