2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol

C42H31N3O — CID 130250523

IUPAC2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol
SMILESOc1ccccc1N(c1ccccc1)c1cccc(-n2c3ccccc3c3ccc(Nc4ccc(-c5ccccc5)cc4)cc32)c1
InChIInChI=1S/C42H31N3O/c46-42-21-10-9-20-40(42)44(34-14-5-2-6-15-34)35-16-11-17-36(29-35)45-39-19-8-7-18-37(39)38-27-26-33(28-41(38)45)43-32-24-22-31(23-25-32)30-12-3-1-4-13-30/h1-29,43,46H
InChIKeyMFOIVGGYSMUISR-UHFFFAOYSA-N
MW593.73 g/mol
LogP11.37
Rot. Bonds7

About 2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol

2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol (PubChem CID 130250523) has the molecular formula C42H31N3O and a molecular weight of 593.73 g/mol. Its IUPAC name is 2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol.

Molecular Properties

Compound Name2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol
PubChem CID130250523
Molecular FormulaC42H31N3O
Molecular Weight593.73 g/mol
Exact Mass593.25
IUPAC Name2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol
SMILESOc1ccccc1N(c1ccccc1)c1cccc(-n2c3ccccc3c3ccc(Nc4ccc(-c5ccccc5)cc4)cc32)c1
InChIInChI=1S/C42H31N3O/c46-42-21-10-9-20-40(42)44(34-14-5-2-6-15-34)35-16-11-17-36(29-35)45-39-19-8-7-18-37(39)38-27-26-33(28-41(38)45)43-32-24-22-31(23-25-32)30-12-3-1-4-13-30/h1-29,43,46H
InChIKeyMFOIVGGYSMUISR-UHFFFAOYSA-N
XLogP11.37
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.73
LogP ≤ 511.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol?
The IUPAC name of 2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol (CID 130250523) is 2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol.
What is the SMILES notation for 2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol?
The canonical SMILES for 2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol is Oc1ccccc1N(c1ccccc1)c1cccc(-n2c3ccccc3c3ccc(Nc4ccc(-c5ccccc5)cc4)cc32)c1.
What is the InChIKey of 2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol?
The InChIKey is MFOIVGGYSMUISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3O/c46-42-21-10-9-20-40(42)44(34-14-5-2-6-15-34)35-16-11-17-36(29-35)45-39-19-8-7-18-37(39)38-27-26-33(28-41(38)45)43-32-24-22-31(23-25-32)30-12-3-1-4-13-30/h1-29,43,46H.
What are the key properties of 2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol?
2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol has a molecular weight of 593.73 g/mol, XLogP of 11.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol is sourced from PubChem (CID 130250523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).