11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole

C55H40N2 — CID 145080000

IUPAC11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)C2CC=CC=C2N4c2ccc4ccccc4c2)ccc1n3-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C55H40N2/c1-55(2)49-21-10-8-19-43(49)45-34-54-48(33-50(45)55)47-32-40(25-28-53(47)57(54)41-18-12-17-38(29-41)35-13-4-3-5-14-35)39-24-27-52-46(31-39)44-20-9-11-22-51(44)56(52)42-26-23-36-15-6-7-16-37(36)30-42/h3-19,21-34,44H,20H2,1-2H3
InChIKeyVXBZIUVAHKGXRY-UHFFFAOYSA-N
MW728.94 g/mol
LogP14.66
Rot. Bonds4

About 11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole

11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole (PubChem CID 145080000) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole.

Molecular Properties

Compound Name11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole
PubChem CID145080000
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)C2CC=CC=C2N4c2ccc4ccccc4c2)ccc1n3-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C55H40N2/c1-55(2)49-21-10-8-19-43(49)45-34-54-48(33-50(45)55)47-32-40(25-28-53(47)57(54)41-18-12-17-38(29-41)35-13-4-3-5-14-35)39-24-27-52-46(31-39)44-20-9-11-22-51(44)56(52)42-26-23-36-15-6-7-16-37(36)30-42/h3-19,21-34,44H,20H2,1-2H3
InChIKeyVXBZIUVAHKGXRY-UHFFFAOYSA-N
XLogP14.66
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]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

3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 167134855
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378
9,9-dimethyl-N-[4-(9-phenyl-4b,5-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145370596
11,11-dimethyl-5-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(4-phenylnaphthalen-1-yl)indeno[1,2-b]carbazole;bis(11,11-dimethyl-5-(5-phenylnaphthalen-2-yl)indeno[1,2-b]carbazole);11,11-dimethyl-5-(7-phenylnaphthalen-2-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(3-phenylphenyl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 157178540
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole
CID 145340775
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole
CID 145080103
14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole
CID 159742124
11,11-dimethyl-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indeno[1,2-b]carbazole
CID 164803024
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159796041
11,11-dimethyl-5-(9-naphthalen-2-ylcarbazol-4-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(9-phenylcarbazol-1-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole;11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole;methane
CID 162243824
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 160645669

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole?
The IUPAC name of 11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole (CID 145080000) is 11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole.
What is the SMILES notation for 11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole?
The canonical SMILES for 11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)C2CC=CC=C2N4c2ccc4ccccc4c2)ccc1n3-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole?
The InChIKey is VXBZIUVAHKGXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2)49-21-10-8-19-43(49)45-34-54-48(33-50(45)55)47-32-40(25-28-53(47)57(54)41-18-12-17-38(29-41)35-13-4-3-5-14-35)39-24-27-52-46(31-39)44-20-9-11-22-51(44)56(52)42-26-23-36-15-6-7-16-37(36)30-42/h3-19,21-34,44H,20H2,1-2H3.
What are the key properties of 11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole?
11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole has a molecular weight of 728.94 g/mol, XLogP of 14.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole is sourced from PubChem (CID 145080000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).