5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole

C47H36N2 — CID 118013993

IUPAC5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole
SMILESCCn1c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2c2cc3c(cc21)C(C)(C)c1ccccc1-3
InChIInChI=1S/C47H36N2/c1-4-48-43-24-22-32(27-39(43)40-28-37-35-14-8-10-16-41(35)47(2,3)42(37)29-46(40)48)30-18-20-31(21-19-30)33-23-25-45-38(26-33)36-15-9-11-17-44(36)49(45)34-12-6-5-7-13-34/h5-29H,4H2,1-3H3
InChIKeyMJLQJOVENZQVQW-UHFFFAOYSA-N
MW628.82 g/mol
LogP12.55
Rot. Bonds4

About 5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole

5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole (PubChem CID 118013993) has the molecular formula C47H36N2 and a molecular weight of 628.82 g/mol. Its IUPAC name is 5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole
PubChem CID118013993
Molecular FormulaC47H36N2
Molecular Weight628.82 g/mol
Exact Mass628.29
IUPAC Name5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole
SMILESCCn1c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2c2cc3c(cc21)C(C)(C)c1ccccc1-3
InChIInChI=1S/C47H36N2/c1-4-48-43-24-22-32(27-39(43)40-28-37-35-14-8-10-16-41(35)47(2,3)42(37)29-46(40)48)30-18-20-31(21-19-30)33-23-25-45-38(26-33)36-15-9-11-17-44(36)49(45)34-12-6-5-7-13-34/h5-29H,4H2,1-3H3
InChIKeyMJLQJOVENZQVQW-UHFFFAOYSA-N
XLogP12.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.82
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-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

2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole
CID 118013987
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole?
The IUPAC name of 5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole (CID 118013993) is 5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole.
What is the SMILES notation for 5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole?
The canonical SMILES for 5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole is CCn1c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2c2cc3c(cc21)C(C)(C)c1ccccc1-3.
What is the InChIKey of 5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole?
The InChIKey is MJLQJOVENZQVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N2/c1-4-48-43-24-22-32(27-39(43)40-28-37-35-14-8-10-16-41(35)47(2,3)42(37)29-46(40)48)30-18-20-31(21-19-30)33-23-25-45-38(26-33)36-15-9-11-17-44(36)49(45)34-12-6-5-7-13-34/h5-29H,4H2,1-3H3.
What are the key properties of 5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole?
5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole has a molecular weight of 628.82 g/mol, XLogP of 12.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole is sourced from PubChem (CID 118013993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).