9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole

C42H33N — CID 58991757

IUPAC9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2c1
InChIInChI=1S/C42H33N/c1-42(2,3)30-23-26-36-37(27-30)41(35-18-8-7-17-34(35)40(36)28-13-5-4-6-14-28)29-21-24-31(25-22-29)43-38-19-11-9-15-32(38)33-16-10-12-20-39(33)43/h4-27H,1-3H3
InChIKeyPJHOWECEUIKXBQ-UHFFFAOYSA-N
MW551.73 g/mol
LogP11.72
Rot. Bonds3

About 9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole

9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 58991757) has the molecular formula C42H33N and a molecular weight of 551.73 g/mol. Its IUPAC name is 9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
PubChem CID58991757
Molecular FormulaC42H33N
Molecular Weight551.73 g/mol
Exact Mass551.26
IUPAC Name9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2c1
InChIInChI=1S/C42H33N/c1-42(2,3)30-23-26-36-37(27-30)41(35-18-8-7-17-34(35)40(36)28-13-5-4-6-14-28)29-21-24-31(25-22-29)43-38-19-11-9-15-32(38)33-16-10-12-20-39(33)43/h4-27H,1-3H3
InChIKeyPJHOWECEUIKXBQ-UHFFFAOYSA-N
XLogP11.72
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.73
LogP ≤ 511.72
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-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991829
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
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
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
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
9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991842
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
9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 59844640
N-[4-[3-tert-butyl-10-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 87401325
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole
CID 163845433
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

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole (CID 58991757) is 9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole is CC(C)(C)c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2c1.
What is the InChIKey of 9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole?
The InChIKey is PJHOWECEUIKXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N/c1-42(2,3)30-23-26-36-37(27-30)41(35-18-8-7-17-34(35)40(36)28-13-5-4-6-14-28)29-21-24-31(25-22-29)43-38-19-11-9-15-32(38)33-16-10-12-20-39(33)43/h4-27H,1-3H3.
What are the key properties of 9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole?
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 551.73 g/mol, XLogP of 11.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 58991757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).