9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole

C48H52N2 — CID 126598362

IUPAC9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
SMILESCC1(C)c2cc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6cc7c(cc65)C(C)(C)C(C)(C)C7(C)C)c4)c3cc2C(C)(C)C1(C)C
InChIInChI=1S/C48H52N2/c1-43(2)35-25-33-31-20-13-15-22-39(31)49(41(33)27-37(35)45(5,6)47(43,9)10)29-18-17-19-30(24-29)50-40-23-16-14-21-32(40)34-26-36-38(28-42(34)50)46(7,8)48(11,12)44(36,3)4/h13-28H,1-12H3
InChIKeyUIIXYSGPHINYPG-UHFFFAOYSA-N
MW656.96 g/mol
LogP13.07
Rot. Bonds2

About 9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole

9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole (PubChem CID 126598362) has the molecular formula C48H52N2 and a molecular weight of 656.96 g/mol. Its IUPAC name is 9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole.

Molecular Properties

Compound Name9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
PubChem CID126598362
Molecular FormulaC48H52N2
Molecular Weight656.96 g/mol
Exact Mass656.41
IUPAC Name9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
SMILESCC1(C)c2cc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6cc7c(cc65)C(C)(C)C(C)(C)C7(C)C)c4)c3cc2C(C)(C)C1(C)C
InChIInChI=1S/C48H52N2/c1-43(2)35-25-33-31-20-13-15-22-39(31)49(41(33)27-37(35)45(5,6)47(43,9)10)29-18-17-19-30(24-29)50-40-23-16-14-21-32(40)34-26-36-38(28-42(34)50)46(7,8)48(11,12)44(36,3)4/h13-28H,1-12H3
InChIKeyUIIXYSGPHINYPG-UHFFFAOYSA-N
XLogP13.07
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.96
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[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

9-[3,5-bis(3-phenylphenyl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-[3-carbazol-9-yl-5-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-(3,5-diphenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-[3-(3,5-diphenylphenyl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 158382365
1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole
CID 126598422
9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 146581716
9-[4-[4-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)-2-methylphenyl]-3-methylphenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-[4-[4-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 158360719
6-[3-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)phenyl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598816
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598868
6-[4-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)phenyl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598851
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene
CID 126598951
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole
CID 177269722
23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene
CID 126598687
14-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)-10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene
CID 126598377

Frequently Asked Questions

What is the IUPAC name of 9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole?
The IUPAC name of 9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole (CID 126598362) is 9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole.
What is the SMILES notation for 9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole?
The canonical SMILES for 9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole is CC1(C)c2cc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6cc7c(cc65)C(C)(C)C(C)(C)C7(C)C)c4)c3cc2C(C)(C)C1(C)C.
What is the InChIKey of 9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole?
The InChIKey is UIIXYSGPHINYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52N2/c1-43(2)35-25-33-31-20-13-15-22-39(31)49(41(33)27-37(35)45(5,6)47(43,9)10)29-18-17-19-30(24-29)50-40-23-16-14-21-32(40)34-26-36-38(28-42(34)50)46(7,8)48(11,12)44(36,3)4/h13-28H,1-12H3.
What are the key properties of 9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole?
9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole has a molecular weight of 656.96 g/mol, XLogP of 13.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole is sourced from PubChem (CID 126598362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).