9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole

C41H31N — CID 58991790

IUPAC9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cc(C)c(C)cc23)cc1
InChIInChI=1S/C41H31N/c1-26-16-18-29(19-17-26)40-34-12-4-5-13-35(34)41(37-25-28(3)27(2)24-36(37)40)30-20-22-31(23-21-30)42-38-14-8-6-10-32(38)33-11-7-9-15-39(33)42/h4-25H,1-3H3
InChIKeyKFHQEEWQQPZQFU-UHFFFAOYSA-N
MW537.71 g/mol
LogP11.35
Rot. Bonds3

About 9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole

9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole (PubChem CID 58991790) has the molecular formula C41H31N and a molecular weight of 537.71 g/mol. Its IUPAC name is 9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
PubChem CID58991790
Molecular FormulaC41H31N
Molecular Weight537.71 g/mol
Exact Mass537.25
IUPAC Name9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cc(C)c(C)cc23)cc1
InChIInChI=1S/C41H31N/c1-26-16-18-29(19-17-26)40-34-12-4-5-13-35(34)41(37-25-28(3)27(2)24-36(37)40)30-20-22-31(23-21-30)42-38-14-8-6-10-32(38)33-11-7-9-15-39(33)42/h4-25H,1-3H3
InChIKeyKFHQEEWQQPZQFU-UHFFFAOYSA-N
XLogP11.35
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.71
LogP ≤ 511.35
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

3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 59844582
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159365234
3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157052187
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
12,26-bis(4-methylphenyl)-2,16-diphenyl-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6,8,10,13,16,18,20,22,24,27-tridecaene
CID 123155033
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991829
9-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole
CID 58876173
9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
N-(4-carbazol-9-ylphenyl)-4-(2-methyl-10-phenylanthracen-9-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(3-methyl-10-phenylanthracen-9-yl)-N-phenylaniline
CID 158366051
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole (CID 58991790) is 9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole is Cc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cc(C)c(C)cc23)cc1.
What is the InChIKey of 9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole?
The InChIKey is KFHQEEWQQPZQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N/c1-26-16-18-29(19-17-26)40-34-12-4-5-13-35(34)41(37-25-28(3)27(2)24-36(37)40)30-20-22-31(23-21-30)42-38-14-8-6-10-32(38)33-11-7-9-15-39(33)42/h4-25H,1-3H3.
What are the key properties of 9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole?
9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole has a molecular weight of 537.71 g/mol, XLogP of 11.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 58991790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).