9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole

C58H37N — CID 130377424

IUPAC9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole
SMILESc1ccc(-c2ccc3c(-c4c5ccccc5c(-n5c6ccccc6c6ccccc65)c5ccccc45)c4cc(-c5ccccc5)ccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C58H37N/c1-4-18-38(19-5-1)41-33-35-48-51(36-41)55(40-22-8-3-9-23-40)47-34-32-42(39-20-6-2-7-21-39)37-52(47)57(48)56-45-26-10-12-28-49(45)58(50-29-13-11-27-46(50)56)59-53-30-16-14-24-43(53)44-25-15-17-31-54(44)59/h1-37H
InChIKeyBLPXUUHDHFLDSK-UHFFFAOYSA-N
MW747.94 g/mol
LogP16.06
Rot. Bonds5

About 9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole

9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole (PubChem CID 130377424) has the molecular formula C58H37N and a molecular weight of 747.94 g/mol. Its IUPAC name is 9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole.

Molecular Properties

Compound Name9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole
PubChem CID130377424
Molecular FormulaC58H37N
Molecular Weight747.94 g/mol
Exact Mass747.29
IUPAC Name9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole
SMILESc1ccc(-c2ccc3c(-c4c5ccccc5c(-n5c6ccccc6c6ccccc65)c5ccccc45)c4cc(-c5ccccc5)ccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C58H37N/c1-4-18-38(19-5-1)41-33-35-48-51(36-41)55(40-22-8-3-9-23-40)47-34-32-42(39-20-6-2-7-21-39)37-52(47)57(48)56-45-26-10-12-28-49(45)58(50-29-13-11-27-46(50)56)59-53-30-16-14-24-43(53)44-25-15-17-31-54(44)59/h1-37H
InChIKeyBLPXUUHDHFLDSK-UHFFFAOYSA-N
XLogP16.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.94
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[10-(2,3,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole;9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole;9-[10-(3,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole
CID 161273548
9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole
CID 130377426
9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729209
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole
CID 118084392
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole
CID 59195147
2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576225
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
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476

Frequently Asked Questions

What is the IUPAC name of 9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole?
The IUPAC name of 9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole (CID 130377424) is 9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole.
What is the SMILES notation for 9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole?
The canonical SMILES for 9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole is c1ccc(-c2ccc3c(-c4c5ccccc5c(-n5c6ccccc6c6ccccc65)c5ccccc45)c4cc(-c5ccccc5)ccc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole?
The InChIKey is BLPXUUHDHFLDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N/c1-4-18-38(19-5-1)41-33-35-48-51(36-41)55(40-22-8-3-9-23-40)47-34-32-42(39-20-6-2-7-21-39)37-52(47)57(48)56-45-26-10-12-28-49(45)58(50-29-13-11-27-46(50)56)59-53-30-16-14-24-43(53)44-25-15-17-31-54(44)59/h1-37H.
What are the key properties of 9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole?
9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole has a molecular weight of 747.94 g/mol, XLogP of 16.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole is sourced from PubChem (CID 130377424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).