4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol

C42H28N2O — CID 170360926

IUPAC4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol
SMILESOc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)cc1
InChIInChI=1S/C42H28N2O/c45-34-21-19-29(20-22-34)31-25-30(28-11-3-1-4-12-28)26-33(27-31)44-40-18-10-8-16-36(40)38-24-23-37-35-15-7-9-17-39(35)43(41(37)42(38)44)32-13-5-2-6-14-32/h1-27,45H
InChIKeyBBVLTRKKGMXKEI-UHFFFAOYSA-N
MW576.70 g/mol
LogP10.92
Rot. Bonds4

About 4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol

4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol (PubChem CID 170360926) has the molecular formula C42H28N2O and a molecular weight of 576.70 g/mol. Its IUPAC name is 4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol.

Molecular Properties

Compound Name4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol
PubChem CID170360926
Molecular FormulaC42H28N2O
Molecular Weight576.70 g/mol
Exact Mass576.22
IUPAC Name4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol
SMILESOc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)cc1
InChIInChI=1S/C42H28N2O/c45-34-21-19-29(20-22-34)31-25-30(28-11-3-1-4-12-28)26-33(27-31)44-40-18-10-8-16-36(40)38-24-23-37-35-15-7-9-17-39(35)43(41(37)42(38)44)32-13-5-2-6-14-32/h1-27,45H
InChIKeyBBVLTRKKGMXKEI-UHFFFAOYSA-N
XLogP10.92
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 510.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
CID 118318986
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
12-(3,5-diphenylphenyl)-5-phenylindolo[3,2-c]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 167636301
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-ol;ethene
CID 142356536
12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol
CID 142356470
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
11-(9-phenylcarbazol-2-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 134168610
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225

Frequently Asked Questions

What is the IUPAC name of 4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol?
The IUPAC name of 4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol (CID 170360926) is 4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol.
What is the SMILES notation for 4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol?
The canonical SMILES for 4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol is Oc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)cc1.
What is the InChIKey of 4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol?
The InChIKey is BBVLTRKKGMXKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O/c45-34-21-19-29(20-22-34)31-25-30(28-11-3-1-4-12-28)26-33(27-31)44-40-18-10-8-16-36(40)38-24-23-37-35-15-7-9-17-39(35)43(41(37)42(38)44)32-13-5-2-6-14-32/h1-27,45H.
What are the key properties of 4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol?
4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol has a molecular weight of 576.70 g/mol, XLogP of 10.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol is sourced from PubChem (CID 170360926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).