9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole

C58H36N2 — CID 59220884

IUPAC9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole
SMILESc1ccc2cc(-c3c4ccc(-n5c6ccccc6c6ccccc65)cc4c(-c4ccc5ccccc5c4)c4cc(-n5c6ccccc6c6ccccc65)ccc34)ccc2c1
InChIInChI=1S/C58H36N2/c1-3-15-39-33-41(27-25-37(39)13-1)57-49-31-29-43(59-53-21-9-5-17-45(53)46-18-6-10-22-54(46)59)35-51(49)58(42-28-26-38-14-2-4-16-40(38)34-42)52-36-44(30-32-50(52)57)60-55-23-11-7-19-47(55)48-20-8-12-24-56(48)60/h1-36H
InChIKeyXAWXDBUKKPGOTC-UHFFFAOYSA-N
MW760.94 g/mol
LogP15.83
Rot. Bonds4

About 9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole

9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole (PubChem CID 59220884) has the molecular formula C58H36N2 and a molecular weight of 760.94 g/mol. Its IUPAC name is 9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole.

Molecular Properties

Compound Name9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole
PubChem CID59220884
Molecular FormulaC58H36N2
Molecular Weight760.94 g/mol
Exact Mass760.29
IUPAC Name9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole
SMILESc1ccc2cc(-c3c4ccc(-n5c6ccccc6c6ccccc65)cc4c(-c4ccc5ccccc5c4)c4cc(-n5c6ccccc6c6ccccc65)ccc34)ccc2c1
InChIInChI=1S/C58H36N2/c1-3-15-39-33-41(27-25-37(39)13-1)57-49-31-29-43(59-53-21-9-5-17-45(53)46-18-6-10-22-54(46)59)35-51(49)58(42-28-26-38-14-2-4-16-40(38)34-42)52-36-44(30-32-50(52)57)60-55-23-11-7-19-47(55)48-20-8-12-24-56(48)60/h1-36H
InChIKeyXAWXDBUKKPGOTC-UHFFFAOYSA-N
XLogP15.83
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.94
LogP ≤ 515.83
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-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219506
9-[9-(4-tert-butylphenyl)-6-carbazol-9-yl-10-naphthalen-2-ylanthracen-2-yl]carbazole
CID 59220991
9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole
CID 59220859
9-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-(10-phenylanthracen-9-yl)carbazole
CID 160550908
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
3-(10-methylanthracen-9-yl)-9-naphthalen-2-ylcarbazole
CID 121339810
9-[6-carbazol-9-yl-9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(2-methylnaphthalen-1-yl)anthracen-2-yl]carbazole;9-(6-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole
CID 161048661
9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole
CID 59372038
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole
CID 130377387
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158681478
9-[6-carbazol-9-yl-9,10-di(phenanthren-9-yl)anthracen-2-yl]carbazole
CID 59220270

Frequently Asked Questions

What is the IUPAC name of 9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole?
The IUPAC name of 9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole (CID 59220884) is 9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole.
What is the SMILES notation for 9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole?
The canonical SMILES for 9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole is c1ccc2cc(-c3c4ccc(-n5c6ccccc6c6ccccc65)cc4c(-c4ccc5ccccc5c4)c4cc(-n5c6ccccc6c6ccccc65)ccc34)ccc2c1.
What is the InChIKey of 9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole?
The InChIKey is XAWXDBUKKPGOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2/c1-3-15-39-33-41(27-25-37(39)13-1)57-49-31-29-43(59-53-21-9-5-17-45(53)46-18-6-10-22-54(46)59)35-51(49)58(42-28-26-38-14-2-4-16-40(38)34-42)52-36-44(30-32-50(52)57)60-55-23-11-7-19-47(55)48-20-8-12-24-56(48)60/h1-36H.
What are the key properties of 9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole?
9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole has a molecular weight of 760.94 g/mol, XLogP of 15.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole is sourced from PubChem (CID 59220884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).