2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol

C34H22N4O — CID 164823525

IUPAC2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol
SMILESOc1ccccc1-c1ccc2c3ccccc3n(-c3cccc(-n4c5ccccc5c5cccnc54)n3)c2c1
InChIInChI=1S/C34H22N4O/c39-31-15-6-3-9-23(31)22-18-19-26-24-10-1-4-13-28(24)37(30(26)21-22)32-16-7-17-33(36-32)38-29-14-5-2-11-25(29)27-12-8-20-35-34(27)38/h1-21,39H
InChIKeyWVWUGOLOBWCMSU-UHFFFAOYSA-N
MW502.58 g/mol
LogP8.04
Rot. Bonds3

About 2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol

2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol (PubChem CID 164823525) has the molecular formula C34H22N4O and a molecular weight of 502.58 g/mol. Its IUPAC name is 2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol.

Molecular Properties

Compound Name2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol
PubChem CID164823525
Molecular FormulaC34H22N4O
Molecular Weight502.58 g/mol
Exact Mass502.18
IUPAC Name2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol
SMILESOc1ccccc1-c1ccc2c3ccccc3n(-c3cccc(-n4c5ccccc5c5cccnc54)n3)c2c1
InChIInChI=1S/C34H22N4O/c39-31-15-6-3-9-23(31)22-18-19-26-24-10-1-4-13-28(24)37(30(26)21-22)32-16-7-17-33(36-32)38-29-14-5-2-11-25(29)27-12-8-20-35-34(27)38/h1-21,39H
InChIKeyWVWUGOLOBWCMSU-UHFFFAOYSA-N
XLogP8.04
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol?
The IUPAC name of 2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol (CID 164823525) is 2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol.
What is the SMILES notation for 2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol?
The canonical SMILES for 2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol is Oc1ccccc1-c1ccc2c3ccccc3n(-c3cccc(-n4c5ccccc5c5cccnc54)n3)c2c1.
What is the InChIKey of 2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol?
The InChIKey is WVWUGOLOBWCMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4O/c39-31-15-6-3-9-23(31)22-18-19-26-24-10-1-4-13-28(24)37(30(26)21-22)32-16-7-17-33(36-32)38-29-14-5-2-11-25(29)27-12-8-20-35-34(27)38/h1-21,39H.
What are the key properties of 2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol?
2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol has a molecular weight of 502.58 g/mol, XLogP of 8.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol is sourced from PubChem (CID 164823525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).