7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole

C48H32N2 — CID 164847545

IUPAC7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6-c6cccc(-c7ccccc7)c6)c5cc43)cc2)cc1
InChIInChI=1S/C48H32N2/c1-3-14-33(15-4-1)35-26-28-38(29-27-35)49-45-24-11-8-21-40(45)42-31-43-41-22-9-12-25-46(41)50(48(43)32-47(42)49)44-23-10-7-20-39(44)37-19-13-18-36(30-37)34-16-5-2-6-17-34/h1-32H
InChIKeyDKOIQKCMIZFDEM-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.88
Rot. Bonds5

About 7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole

7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole (PubChem CID 164847545) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
PubChem CID164847545
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6-c6cccc(-c7ccccc7)c6)c5cc43)cc2)cc1
InChIInChI=1S/C48H32N2/c1-3-14-33(15-4-1)35-26-28-38(29-27-35)49-45-24-11-8-21-40(45)42-31-43-41-22-9-12-25-46(41)50(48(43)32-47(42)49)44-23-10-7-20-39(44)37-19-13-18-36(30-37)34-16-5-2-6-17-34/h1-32H
InChIKeyDKOIQKCMIZFDEM-UHFFFAOYSA-N
XLogP12.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole?
The IUPAC name of 7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole (CID 164847545) is 7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole.
What is the SMILES notation for 7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole?
The canonical SMILES for 7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6-c6cccc(-c7ccccc7)c6)c5cc43)cc2)cc1.
What is the InChIKey of 7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole?
The InChIKey is DKOIQKCMIZFDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-14-33(15-4-1)35-26-28-38(29-27-35)49-45-24-11-8-21-40(45)42-31-43-41-22-9-12-25-46(41)50(48(43)32-47(42)49)44-23-10-7-20-39(44)37-19-13-18-36(30-37)34-16-5-2-6-17-34/h1-32H.
What are the key properties of 7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole?
7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole has a molecular weight of 636.80 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole is sourced from PubChem (CID 164847545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).