9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole

C40H30N2 — CID 88673510

IUPAC9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
SMILESCc1c2ccc(-n3c4ccccc4c4ccccc43)cc2c(C)c2ccc(-n3c4c(c5ccccc53)C=CCC4)cc12
InChIInChI=1S/C40H30N2/c1-25-29-21-19-28(42-39-17-9-5-13-33(39)34-14-6-10-18-40(34)42)24-36(29)26(2)30-22-20-27(23-35(25)30)41-37-15-7-3-11-31(37)32-12-4-8-16-38(32)41/h3-9,11-17,19-24H,10,18H2,1-2H3
InChIKeyHZTMHFCVGTUXNM-UHFFFAOYSA-N
MW538.69 g/mol
LogP10.61
Rot. Bonds2

About 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole

9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole (PubChem CID 88673510) has the molecular formula C40H30N2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole.

Molecular Properties

Compound Name9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
PubChem CID88673510
Molecular FormulaC40H30N2
Molecular Weight538.69 g/mol
Exact Mass538.24
IUPAC Name9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
SMILESCc1c2ccc(-n3c4ccccc4c4ccccc43)cc2c(C)c2ccc(-n3c4c(c5ccccc53)C=CCC4)cc12
InChIInChI=1S/C40H30N2/c1-25-29-21-19-28(42-39-17-9-5-13-33(39)34-14-6-10-18-40(34)42)24-36(29)26(2)30-22-20-27(23-35(25)30)41-37-15-7-3-11-31(37)32-12-4-8-16-38(32)41/h3-9,11-17,19-24H,10,18H2,1-2H3
InChIKeyHZTMHFCVGTUXNM-UHFFFAOYSA-N
XLogP10.61
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 118698975
9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
CID 129215312
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 71013433
[4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid
CID 154692123
2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine
CID 66828059
9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole
CID 70661565
3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 168748082
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
9-(4-prop-1-en-2-ylphenyl)-1,2-dihydrocarbazole
CID 145237248
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997

Frequently Asked Questions

What is the IUPAC name of 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole?
The IUPAC name of 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole (CID 88673510) is 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole.
What is the SMILES notation for 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole?
The canonical SMILES for 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole is Cc1c2ccc(-n3c4ccccc4c4ccccc43)cc2c(C)c2ccc(-n3c4c(c5ccccc53)C=CCC4)cc12.
What is the InChIKey of 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole?
The InChIKey is HZTMHFCVGTUXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2/c1-25-29-21-19-28(42-39-17-9-5-13-33(39)34-14-6-10-18-40(34)42)24-36(29)26(2)30-22-20-27(23-35(25)30)41-37-15-7-3-11-31(37)32-12-4-8-16-38(32)41/h3-9,11-17,19-24H,10,18H2,1-2H3.
What are the key properties of 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole?
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole has a molecular weight of 538.69 g/mol, XLogP of 10.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole is sourced from PubChem (CID 88673510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).