4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole

C56H48N2 — CID 59227881

IUPAC4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole
SMILESCC1(c2ccccc2)CC(C)(c2ccccc2)c2c1c1ccccc1n2-c1cccc(-n2c3c(c4ccccc42)C(C)(c2ccccc2)CC3(C)c2ccccc2)c1
InChIInChI=1S/C56H48N2/c1-53(39-22-9-5-10-23-39)37-55(3,41-26-13-7-14-27-41)51-49(53)45-32-17-19-34-47(45)57(51)43-30-21-31-44(36-43)58-48-35-20-18-33-46(48)50-52(58)56(4,42-28-15-8-16-29-42)38-54(50,2)40-24-11-6-12-25-40/h5-36H,37-38H2,1-4H3
InChIKeyBIHHBRGKZKPZEP-UHFFFAOYSA-N
MW749.01 g/mol
LogP13.61
Rot. Bonds6

About 4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole

4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole (PubChem CID 59227881) has the molecular formula C56H48N2 and a molecular weight of 749.01 g/mol. Its IUPAC name is 4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole.

Molecular Properties

Compound Name4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole
PubChem CID59227881
Molecular FormulaC56H48N2
Molecular Weight749.01 g/mol
Exact Mass748.38
IUPAC Name4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole
SMILESCC1(c2ccccc2)CC(C)(c2ccccc2)c2c1c1ccccc1n2-c1cccc(-n2c3c(c4ccccc42)C(C)(c2ccccc2)CC3(C)c2ccccc2)c1
InChIInChI=1S/C56H48N2/c1-53(39-22-9-5-10-23-39)37-55(3,41-26-13-7-14-27-41)51-49(53)45-32-17-19-34-47(45)57(51)43-30-21-31-44(36-43)58-48-35-20-18-33-46(48)50-52(58)56(4,42-28-15-8-16-29-42)38-54(50,2)40-24-11-6-12-25-40/h5-36H,37-38H2,1-4H3
InChIKeyBIHHBRGKZKPZEP-UHFFFAOYSA-N
XLogP13.61
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.01
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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9-(3-carbazol-9-ylphenyl)carbazole;methane
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11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
CID 126569189
3-carbazol-9-yl-9-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158665027
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9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 161148569

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole?
The IUPAC name of 4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole (CID 59227881) is 4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole.
What is the SMILES notation for 4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole?
The canonical SMILES for 4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole is CC1(c2ccccc2)CC(C)(c2ccccc2)c2c1c1ccccc1n2-c1cccc(-n2c3c(c4ccccc42)C(C)(c2ccccc2)CC3(C)c2ccccc2)c1.
What is the InChIKey of 4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole?
The InChIKey is BIHHBRGKZKPZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48N2/c1-53(39-22-9-5-10-23-39)37-55(3,41-26-13-7-14-27-41)51-49(53)45-32-17-19-34-47(45)57(51)43-30-21-31-44(36-43)58-48-35-20-18-33-46(48)50-52(58)56(4,42-28-15-8-16-29-42)38-54(50,2)40-24-11-6-12-25-40/h5-36H,37-38H2,1-4H3.
What are the key properties of 4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole?
4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole has a molecular weight of 749.01 g/mol, XLogP of 13.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole is sourced from PubChem (CID 59227881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).