9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole

C43H35N — CID 58991842

IUPAC9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
SMILESCc1ccc(-c2c3ccccc3c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C43H35N/c1-28-20-22-29(23-21-28)41-35-16-5-6-17-36(35)42(37-25-24-31(27-38(37)41)43(2,3)4)30-12-11-13-32(26-30)44-39-18-9-7-14-33(39)34-15-8-10-19-40(34)44/h5-27H,1-4H3
InChIKeyOXHVPEDOIUOKIF-UHFFFAOYSA-N
MW565.76 g/mol
LogP12.03
Rot. Bonds3

About 9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole

9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole (PubChem CID 58991842) has the molecular formula C43H35N and a molecular weight of 565.76 g/mol. Its IUPAC name is 9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
PubChem CID58991842
Molecular FormulaC43H35N
Molecular Weight565.76 g/mol
Exact Mass565.28
IUPAC Name9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
SMILESCc1ccc(-c2c3ccccc3c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C43H35N/c1-28-20-22-29(23-21-28)41-35-16-5-6-17-36(35)42(37-25-24-31(27-38(37)41)43(2,3)4)30-12-11-13-32(26-30)44-39-18-9-7-14-33(39)34-15-8-10-19-40(34)44/h5-27H,1-4H3
InChIKeyOXHVPEDOIUOKIF-UHFFFAOYSA-N
XLogP12.03
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.76
LogP ≤ 512.03
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-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 161317938
9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991829
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 58991757
9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole
CID 162176343
3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-phenylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]carbazole
CID 157143874
3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole
CID 161415057
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
9-[9,10-bis(4-tert-butylphenyl)-6-carbazol-9-ylanthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(3,5-dimethylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(2-phenylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(3-phenylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(4-phenylphenyl)anthracen-2-yl]carbazole
CID 158826661
3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole
CID 160622182
9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 159418617

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole (CID 58991842) is 9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole is Cc1ccc(-c2c3ccccc3c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccc(C(C)(C)C)cc23)cc1.
What is the InChIKey of 9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole?
The InChIKey is OXHVPEDOIUOKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N/c1-28-20-22-29(23-21-28)41-35-16-5-6-17-36(35)42(37-25-24-31(27-38(37)41)43(2,3)4)30-12-11-13-32(26-30)44-39-18-9-7-14-33(39)34-15-8-10-19-40(34)44/h5-27H,1-4H3.
What are the key properties of 9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole?
9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole has a molecular weight of 565.76 g/mol, XLogP of 12.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 58991842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).