4-[3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenol

C48H31N3O — CID 130351801

IUPAC4-[3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenol
SMILESOc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)cc1
InChIInChI=1S/C48H31N3O/c52-36-24-22-33(23-25-36)49-45-18-7-3-14-39(45)41-28-31(20-26-47(41)49)32-21-27-48-42(29-32)40-15-4-8-19-46(40)51(48)35-11-9-10-34(30-35)50-43-16-5-1-12-37(43)38-13-2-6-17-44(38)50/h1-30,52H
InChIKeyPPUMZVPFGCOMMH-UHFFFAOYSA-N
MW665.80 g/mol
LogP12.35
Rot. Bonds4

About 4-[3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenol

4-[3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenol (PubChem CID 130351801) has the molecular formula C48H31N3O and a molecular weight of 665.80 g/mol. Its IUPAC name is 4-[3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenol.

Molecular Properties

Compound Name4-[3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenol
PubChem CID130351801
Molecular FormulaC48H31N3O
Molecular Weight665.80 g/mol
Exact Mass665.25
IUPAC Name4-[3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenol
SMILESOc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)cc1
InChIInChI=1S/C48H31N3O/c52-36-24-22-33(23-25-36)49-45-18-7-3-14-39(45)41-28-31(20-26-47(41)49)32-21-27-48-42(29-32)40-15-4-8-19-46(40)51(48)35-11-9-10-34(30-35)50-43-16-5-1-12-37(43)38-13-2-6-17-44(38)50/h1-30,52H
InChIKeyPPUMZVPFGCOMMH-UHFFFAOYSA-N
XLogP12.35
TPSA35.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 512.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenol?
The IUPAC name of 4-[3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenol (CID 130351801) is 4-[3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenol.
What is the SMILES notation for 4-[3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenol?
The canonical SMILES for 4-[3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenol is Oc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)cc1.
What is the InChIKey of 4-[3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenol?
The InChIKey is PPUMZVPFGCOMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3O/c52-36-24-22-33(23-25-36)49-45-18-7-3-14-39(45)41-28-31(20-26-47(41)49)32-21-27-48-42(29-32)40-15-4-8-19-46(40)51(48)35-11-9-10-34(30-35)50-43-16-5-1-12-37(43)38-13-2-6-17-44(38)50/h1-30,52H.
What are the key properties of 4-[3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenol?
4-[3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenol has a molecular weight of 665.80 g/mol, XLogP of 12.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenol is sourced from PubChem (CID 130351801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).