[4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium

C49H37N2O2+ — CID 163674728

IUPAC[4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium
SMILESCC1c2c(n(-c3cc(-c4ccc(O)cc4)cc(-c4ccc([OH2+])cc4)c3)c3ccccc23)C=CC1c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C49H36N2O2/c1-31-41(34-19-25-47-44(30-34)42-11-5-7-13-45(42)50(47)37-9-3-2-4-10-37)24-26-48-49(31)43-12-6-8-14-46(43)51(48)38-28-35(32-15-20-39(52)21-16-32)27-36(29-38)33-17-22-40(53)23-18-33/h2-31,41,52-53H,1H3/p+1
InChIKeyJFQZYUCIAFBHJR-UHFFFAOYSA-O
MW685.85 g/mol
LogP12.12
Rot. Bonds5

About [4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium

[4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium (PubChem CID 163674728) has the molecular formula C49H37N2O2+ and a molecular weight of 685.85 g/mol. Its IUPAC name is [4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium.

Molecular Properties

Compound Name[4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium
PubChem CID163674728
Molecular FormulaC49H37N2O2+
Molecular Weight685.85 g/mol
Exact Mass685.28
IUPAC Name[4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium
SMILESCC1c2c(n(-c3cc(-c4ccc(O)cc4)cc(-c4ccc([OH2+])cc4)c3)c3ccccc23)C=CC1c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C49H36N2O2/c1-31-41(34-19-25-47-44(30-34)42-11-5-7-13-45(42)50(47)37-9-3-2-4-10-37)24-26-48-49(31)43-12-6-8-14-46(43)51(48)38-28-35(32-15-20-39(52)21-16-32)27-36(29-38)33-17-22-40(53)23-18-33/h2-31,41,52-53H,1H3/p+1
InChIKeyJFQZYUCIAFBHJR-UHFFFAOYSA-O
XLogP12.12
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.85
LogP ≤ 512.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze [4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium 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

3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 174110726
2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole
CID 121343240
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-ol;ethene
CID 142356536
4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol
CID 170360926
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[9-[3,5-bis(3-fluorophenyl)phenyl]-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163674925
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158535060
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084408
3-phenyl-9-[3-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492182
3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
CID 157108405
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-phenylindolo[2,3-b]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 159483264

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium?
The IUPAC name of [4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium (CID 163674728) is [4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium.
What is the SMILES notation for [4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium?
The canonical SMILES for [4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium is CC1c2c(n(-c3cc(-c4ccc(O)cc4)cc(-c4ccc([OH2+])cc4)c3)c3ccccc23)C=CC1c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of [4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium?
The InChIKey is JFQZYUCIAFBHJR-UHFFFAOYSA-O. The full InChI is InChI=1S/C49H36N2O2/c1-31-41(34-19-25-47-44(30-34)42-11-5-7-13-45(42)50(47)37-9-3-2-4-10-37)24-26-48-49(31)43-12-6-8-14-46(43)51(48)38-28-35(32-15-20-39(52)21-16-32)27-36(29-38)33-17-22-40(53)23-18-33/h2-31,41,52-53H,1H3/p+1.
What are the key properties of [4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium?
[4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium has a molecular weight of 685.85 g/mol, XLogP of 12.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium is sourced from PubChem (CID 163674728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).