5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol

C41H28N2O2 — CID 154679914

IUPAC5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C41H28N2O2/c44-31-21-29(22-32(45)24-31)33-15-7-8-16-34(33)38-26-42-39(27-11-3-1-4-12-27)25-36(38)28-19-20-41-37(23-28)35-17-9-10-18-40(35)43(41)30-13-5-2-6-14-30/h1-26,44-45H
InChIKeyMIHMOBSEKKHXNZ-UHFFFAOYSA-N
MW580.69 g/mol
LogP10.26
Rot. Bonds5

About 5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol

5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol (PubChem CID 154679914) has the molecular formula C41H28N2O2 and a molecular weight of 580.69 g/mol. Its IUPAC name is 5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol
PubChem CID154679914
Molecular FormulaC41H28N2O2
Molecular Weight580.69 g/mol
Exact Mass580.22
IUPAC Name5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C41H28N2O2/c44-31-21-29(22-32(45)24-31)33-15-7-8-16-34(33)38-26-42-39(27-11-3-1-4-12-27)25-36(38)28-19-20-41-37(23-28)35-17-9-10-18-40(35)43(41)30-13-5-2-6-14-30/h1-26,44-45H
InChIKeyMIHMOBSEKKHXNZ-UHFFFAOYSA-N
XLogP10.26
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.69
LogP ≤ 510.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

13-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122434747
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149315
3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole
CID 158212129
3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 158454964
3-[2-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 139533350
9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
CID 56943928
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
3-(4,6-diphenylpyrimidin-2-yl)-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90348761
3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90321526
3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764075
3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole
CID 87171359

Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol?
The IUPAC name of 5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol (CID 154679914) is 5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol?
The canonical SMILES for 5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol is Oc1cc(O)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.
What is the InChIKey of 5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol?
The InChIKey is MIHMOBSEKKHXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2O2/c44-31-21-29(22-32(45)24-31)33-15-7-8-16-34(33)38-26-42-39(27-11-3-1-4-12-27)25-36(38)28-19-20-41-37(23-28)35-17-9-10-18-40(35)43(41)30-13-5-2-6-14-30/h1-26,44-45H.
What are the key properties of 5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol?
5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol has a molecular weight of 580.69 g/mol, XLogP of 10.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol is sourced from PubChem (CID 154679914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).