9-[4-[10-(3-phenyl-1H-indol-2-yl)anthracen-9-yl]phenyl]carbazole

C46H30N2 — CID 123646145

IUPAC9-[4-[10-(3-phenyl-1H-indol-2-yl)anthracen-9-yl]phenyl]carbazole
SMILESc1ccc(-c2c(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc34)[nH]c3ccccc23)cc1
InChIInChI=1S/C46H30N2/c1-2-14-30(15-3-1)44-39-22-8-11-23-40(39)47-46(44)45-37-20-6-4-18-35(37)43(36-19-5-7-21-38(36)45)31-26-28-32(29-27-31)48-41-24-12-9-16-33(41)34-17-10-13-25-42(34)48/h1-29,47H
InChIKeyLRWAVJFQDMWILS-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.57
Rot. Bonds4

About 9-[4-[10-(3-phenyl-1H-indol-2-yl)anthracen-9-yl]phenyl]carbazole

9-[4-[10-(3-phenyl-1H-indol-2-yl)anthracen-9-yl]phenyl]carbazole (PubChem CID 123646145) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 9-[4-[10-(3-phenyl-1H-indol-2-yl)anthracen-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[10-(3-phenyl-1H-indol-2-yl)anthracen-9-yl]phenyl]carbazole
PubChem CID123646145
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC Name9-[4-[10-(3-phenyl-1H-indol-2-yl)anthracen-9-yl]phenyl]carbazole
SMILESc1ccc(-c2c(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc34)[nH]c3ccccc23)cc1
InChIInChI=1S/C46H30N2/c1-2-14-30(15-3-1)44-39-22-8-11-23-40(39)47-46(44)45-37-20-6-4-18-35(37)43(36-19-5-7-21-38(36)45)31-26-28-32(29-27-31)48-41-24-12-9-16-33(41)34-17-10-13-25-42(34)48/h1-29,47H
InChIKeyLRWAVJFQDMWILS-UHFFFAOYSA-N
XLogP12.57
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.57
H-Bond Donors ≤ 51
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-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole
CID 159156662
9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole
CID 89408652
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole
CID 129084995
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 162257704
9-[4-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-yl]carbazole;9-[4-[4-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]carbazole;9-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]phenyl]carbazole
CID 159108089
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline
CID 164980722
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

Frequently Asked Questions

What is the IUPAC name of 9-[4-[10-(3-phenyl-1H-indol-2-yl)anthracen-9-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[10-(3-phenyl-1H-indol-2-yl)anthracen-9-yl]phenyl]carbazole (CID 123646145) is 9-[4-[10-(3-phenyl-1H-indol-2-yl)anthracen-9-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[10-(3-phenyl-1H-indol-2-yl)anthracen-9-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[10-(3-phenyl-1H-indol-2-yl)anthracen-9-yl]phenyl]carbazole is c1ccc(-c2c(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc34)[nH]c3ccccc23)cc1.
What is the InChIKey of 9-[4-[10-(3-phenyl-1H-indol-2-yl)anthracen-9-yl]phenyl]carbazole?
The InChIKey is LRWAVJFQDMWILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-2-14-30(15-3-1)44-39-22-8-11-23-40(39)47-46(44)45-37-20-6-4-18-35(37)43(36-19-5-7-21-38(36)45)31-26-28-32(29-27-31)48-41-24-12-9-16-33(41)34-17-10-13-25-42(34)48/h1-29,47H.
What are the key properties of 9-[4-[10-(3-phenyl-1H-indol-2-yl)anthracen-9-yl]phenyl]carbazole?
9-[4-[10-(3-phenyl-1H-indol-2-yl)anthracen-9-yl]phenyl]carbazole has a molecular weight of 610.76 g/mol, XLogP of 12.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[10-(3-phenyl-1H-indol-2-yl)anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 123646145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).