9-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole

C42H33N — CID 58163336

IUPAC9-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C42H33N/c1-42(2,3)36-26-25-29(27-39(36)43-37-23-13-11-17-30(37)31-18-12-14-24-38(31)43)41-34-21-9-7-19-32(34)40(28-15-5-4-6-16-28)33-20-8-10-22-35(33)41/h4-27H,1-3H3
InChIKeyYCHPLBRIIRIOMY-UHFFFAOYSA-N
MW551.73 g/mol
LogP11.72
Rot. Bonds3

About 9-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole

9-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 58163336) has the molecular formula C42H33N and a molecular weight of 551.73 g/mol. Its IUPAC name is 9-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole
PubChem CID58163336
Molecular FormulaC42H33N
Molecular Weight551.73 g/mol
Exact Mass551.26
IUPAC Name9-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C42H33N/c1-42(2,3)36-26-25-29(27-39(36)43-37-23-13-11-17-30(37)31-18-12-14-24-38(31)43)41-34-21-9-7-19-32(34)40(28-15-5-4-6-16-28)33-20-8-10-22-35(33)41/h4-27H,1-3H3
InChIKeyYCHPLBRIIRIOMY-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

4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 59828070
9-(2,5-ditert-butylphenyl)carbazole
CID 143599034
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 58991757
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729209
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
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
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-(2,5-ditert-butylphenyl)carbazole;phenylsulfanylbenzene
CID 143599033
3-methyl-9-(2-methylphenyl)-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole;3-methyl-9-(4-methylphenyl)-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole;3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 161215741
9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 161436375
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215

Frequently Asked Questions

What is the IUPAC name of 9-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole?
The IUPAC name of 9-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 58163336) is 9-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole.
What is the SMILES notation for 9-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole?
The canonical SMILES for 9-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole?
The InChIKey is YCHPLBRIIRIOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N/c1-42(2,3)36-26-25-29(27-39(36)43-37-23-13-11-17-30(37)31-18-12-14-24-38(31)43)41-34-21-9-7-19-32(34)40(28-15-5-4-6-16-28)33-20-8-10-22-35(33)41/h4-27H,1-3H3.
What are the key properties of 9-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole?
9-[2-tert-butyl-5-(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-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 58163336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).