2-carbazol-9-yl-4-[(3-carbazol-9-yl-4-hydroxyphenyl)-diphenylmethyl]phenol

C49H34N2O2 — CID 67893761

IUPAC2-carbazol-9-yl-4-[(3-carbazol-9-yl-4-hydroxyphenyl)-diphenylmethyl]phenol
SMILESOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)c(-n3c4ccccc4c4ccccc43)c2)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C49H34N2O2/c52-47-29-27-35(31-45(47)50-41-23-11-7-19-37(41)38-20-8-12-24-42(38)50)49(33-15-3-1-4-16-33,34-17-5-2-6-18-34)36-28-30-48(53)46(32-36)51-43-25-13-9-21-39(43)40-22-10-14-26-44(40)51/h1-32,52-53H
InChIKeyIAUIJGJTAFEMFJ-UHFFFAOYSA-N
MW682.82 g/mol
LogP11.67
Rot. Bonds6

About 2-carbazol-9-yl-4-[(3-carbazol-9-yl-4-hydroxyphenyl)-diphenylmethyl]phenol

2-carbazol-9-yl-4-[(3-carbazol-9-yl-4-hydroxyphenyl)-diphenylmethyl]phenol (PubChem CID 67893761) has the molecular formula C49H34N2O2 and a molecular weight of 682.82 g/mol. Its IUPAC name is 2-carbazol-9-yl-4-[(3-carbazol-9-yl-4-hydroxyphenyl)-diphenylmethyl]phenol.

Molecular Properties

Compound Name2-carbazol-9-yl-4-[(3-carbazol-9-yl-4-hydroxyphenyl)-diphenylmethyl]phenol
PubChem CID67893761
Molecular FormulaC49H34N2O2
Molecular Weight682.82 g/mol
Exact Mass682.26
IUPAC Name2-carbazol-9-yl-4-[(3-carbazol-9-yl-4-hydroxyphenyl)-diphenylmethyl]phenol
SMILESOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)c(-n3c4ccccc4c4ccccc43)c2)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C49H34N2O2/c52-47-29-27-35(31-45(47)50-41-23-11-7-19-37(41)38-20-8-12-24-42(38)50)49(33-15-3-1-4-16-33,34-17-5-2-6-18-34)36-28-30-48(53)46(32-36)51-43-25-13-9-21-39(43)40-22-10-14-26-44(40)51/h1-32,52-53H
InChIKeyIAUIJGJTAFEMFJ-UHFFFAOYSA-N
XLogP11.67
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.82
LogP ≤ 511.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-4-[(3-carbazol-9-yl-4-hydroxyphenyl)-diphenylmethyl]phenol?
The IUPAC name of 2-carbazol-9-yl-4-[(3-carbazol-9-yl-4-hydroxyphenyl)-diphenylmethyl]phenol (CID 67893761) is 2-carbazol-9-yl-4-[(3-carbazol-9-yl-4-hydroxyphenyl)-diphenylmethyl]phenol.
What is the SMILES notation for 2-carbazol-9-yl-4-[(3-carbazol-9-yl-4-hydroxyphenyl)-diphenylmethyl]phenol?
The canonical SMILES for 2-carbazol-9-yl-4-[(3-carbazol-9-yl-4-hydroxyphenyl)-diphenylmethyl]phenol is Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)c(-n3c4ccccc4c4ccccc43)c2)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-4-[(3-carbazol-9-yl-4-hydroxyphenyl)-diphenylmethyl]phenol?
The InChIKey is IAUIJGJTAFEMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O2/c52-47-29-27-35(31-45(47)50-41-23-11-7-19-37(41)38-20-8-12-24-42(38)50)49(33-15-3-1-4-16-33,34-17-5-2-6-18-34)36-28-30-48(53)46(32-36)51-43-25-13-9-21-39(43)40-22-10-14-26-44(40)51/h1-32,52-53H.
What are the key properties of 2-carbazol-9-yl-4-[(3-carbazol-9-yl-4-hydroxyphenyl)-diphenylmethyl]phenol?
2-carbazol-9-yl-4-[(3-carbazol-9-yl-4-hydroxyphenyl)-diphenylmethyl]phenol has a molecular weight of 682.82 g/mol, XLogP of 11.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-4-[(3-carbazol-9-yl-4-hydroxyphenyl)-diphenylmethyl]phenol is sourced from PubChem (CID 67893761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).