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

C64H40N2 — CID 58971557

IUPAC9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc34)c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2c1
InChIInChI=1S/C64H40N2/c1-5-25-53-49(21-1)61(41-33-37-43(38-34-41)65-57-29-13-9-17-45(57)46-18-10-14-30-58(46)65)50-22-2-6-26-54(50)63(53)64-55-27-7-3-23-51(55)62(52-24-4-8-28-56(52)64)42-35-39-44(40-36-42)66-59-31-15-11-19-47(59)48-20-12-16-32-60(48)66/h1-40H
InChIKeyIPAZGTUTSJEILR-UHFFFAOYSA-N
MW837.04 g/mol
LogP17.49
Rot. Bonds5

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

9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole (PubChem CID 58971557) has the molecular formula C64H40N2 and a molecular weight of 837.04 g/mol. Its IUPAC name is 9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
PubChem CID58971557
Molecular FormulaC64H40N2
Molecular Weight837.04 g/mol
Exact Mass836.32
IUPAC Name9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc34)c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2c1
InChIInChI=1S/C64H40N2/c1-5-25-53-49(21-1)61(41-33-37-43(38-34-41)65-57-29-13-9-17-45(57)46-18-10-14-30-58(46)65)50-22-2-6-26-54(50)63(53)64-55-27-7-3-23-51(55)62(52-24-4-8-28-56(52)64)42-35-39-44(40-36-42)66-59-31-15-11-19-47(59)48-20-12-16-32-60(48)66/h1-40H
InChIKeyIPAZGTUTSJEILR-UHFFFAOYSA-N
XLogP17.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.04
LogP ≤ 517.49
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-(2,6-difluorophenyl)anthracen-9-yl]phenyl]carbazole
CID 58163314
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorophenyl]phenyl]carbazole
CID 102109316
9-[4-[10-(2-fluorophenyl)anthracen-9-yl]phenyl]carbazole
CID 58163334
9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole
CID 129084995
9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991790
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513

Frequently Asked Questions

What is the IUPAC name of 9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole (CID 58971557) is 9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole is c1ccc2c(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc34)c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2c1.
What is the InChIKey of 9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole?
The InChIKey is IPAZGTUTSJEILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2/c1-5-25-53-49(21-1)61(41-33-37-43(38-34-41)65-57-29-13-9-17-45(57)46-18-10-14-30-58(46)65)50-22-2-6-26-54(50)63(53)64-55-27-7-3-23-51(55)62(52-24-4-8-28-56(52)64)42-35-39-44(40-36-42)66-59-31-15-11-19-47(59)48-20-12-16-32-60(48)66/h1-40H.
What are the key properties of 9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole?
9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole has a molecular weight of 837.04 g/mol, XLogP of 17.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 58971557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).