9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole

C62H40N2 — CID 155333092

IUPAC9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole
SMILESc1ccc(-c2cccc(-c3c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4cc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)c2)cc1
InChIInChI=1S/C62H40N2/c1-4-17-41(18-5-1)42-19-14-20-45(37-42)62-52-29-15-27-48(43-33-35-60-56(38-43)50-25-10-12-31-58(50)63(60)46-21-6-2-7-22-46)54(52)40-55-49(28-16-30-53(55)62)44-34-36-61-57(39-44)51-26-11-13-32-59(51)64(61)47-23-8-3-9-24-47/h1-40H
InChIKeyWNCDQQZOHIROMC-UHFFFAOYSA-N
MW813.02 g/mol
LogP16.86
Rot. Bonds6

About 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole

9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole (PubChem CID 155333092) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol. Its IUPAC name is 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole
PubChem CID155333092
Molecular FormulaC62H40N2
Molecular Weight813.02 g/mol
Exact Mass812.32
IUPAC Name9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole
SMILESc1ccc(-c2cccc(-c3c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4cc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)c2)cc1
InChIInChI=1S/C62H40N2/c1-4-17-41(18-5-1)42-19-14-20-45(37-42)62-52-29-15-27-48(43-33-35-60-56(38-43)50-25-10-12-31-58(50)63(60)46-21-6-2-7-22-46)54(52)40-55-49(28-16-30-53(55)62)44-34-36-61-57(39-44)51-26-11-13-32-59(51)64(61)47-23-8-3-9-24-47/h1-40H
InChIKeyWNCDQQZOHIROMC-UHFFFAOYSA-N
XLogP16.86
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.02
LogP ≤ 516.86
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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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole?
The IUPAC name of 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole (CID 155333092) is 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole is c1ccc(-c2cccc(-c3c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4cc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)c2)cc1.
What is the InChIKey of 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole?
The InChIKey is WNCDQQZOHIROMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-4-17-41(18-5-1)42-19-14-20-45(37-42)62-52-29-15-27-48(43-33-35-60-56(38-43)50-25-10-12-31-58(50)63(60)46-21-6-2-7-22-46)54(52)40-55-49(28-16-30-53(55)62)44-34-36-61-57(39-44)51-26-11-13-32-59(51)64(61)47-23-8-3-9-24-47/h1-40H.
What are the key properties of 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole?
9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole has a molecular weight of 813.02 g/mol, XLogP of 16.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole is sourced from PubChem (CID 155333092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).