2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol

C30H19Cl2NO2 — CID 136810611

IUPAC2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccc(Cl)cc2)c2c(n1)-c1ccccc1OC2c1ccc(Cl)cc1
InChIInChI=1S/C30H19Cl2NO2/c31-20-13-9-18(10-14-20)24-17-25(22-5-1-3-7-26(22)34)33-29-23-6-2-4-8-27(23)35-30(28(24)29)19-11-15-21(32)16-12-19/h1-17,30,34H
InChIKeyFFKDNDUVWMYBJR-UHFFFAOYSA-N
MW496.39 g/mol
LogP8.58
Rot. Bonds3

About 2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol

2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol (PubChem CID 136810611) has the molecular formula C30H19Cl2NO2 and a molecular weight of 496.39 g/mol. Its IUPAC name is 2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol
PubChem CID136810611
Molecular FormulaC30H19Cl2NO2
Molecular Weight496.39 g/mol
Exact Mass495.08
IUPAC Name2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccc(Cl)cc2)c2c(n1)-c1ccccc1OC2c1ccc(Cl)cc1
InChIInChI=1S/C30H19Cl2NO2/c31-20-13-9-18(10-14-20)24-17-25(22-5-1-3-7-26(22)34)33-29-23-6-2-4-8-27(23)35-30(28(24)29)19-11-15-21(32)16-12-19/h1-17,30,34H
InChIKeyFFKDNDUVWMYBJR-UHFFFAOYSA-N
XLogP8.58
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.39
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol
CID 135867842
(6S)-6,7-diphenyl-6H-chromeno[4,3-b]quinoline
CID 8966307
methyl 2-(4-chlorophenyl)-4-hydroxy-2H-chromene-3-carboxylate
CID 102581326
1,4-bis(4-chlorophenyl)-4H-chromeno[3,4-d]pyrazole
CID 57338227
(5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 57286996
2-(4-chlorophenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 78294875
2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
CID 102334535
chlorobenzene;2-phenylphenol
CID 161060319
4-[4-(4-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
CID 137175160
2-[2-[4-(4-chlorophenyl)phenyl]phenyl]naphthalene
CID 178067173
1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene
CID 102232436
2-[2-[4-[2-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenol
CID 71519972

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol?
The IUPAC name of 2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol (CID 136810611) is 2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol?
The canonical SMILES for 2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol is Oc1ccccc1-c1cc(-c2ccc(Cl)cc2)c2c(n1)-c1ccccc1OC2c1ccc(Cl)cc1.
What is the InChIKey of 2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol?
The InChIKey is FFKDNDUVWMYBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19Cl2NO2/c31-20-13-9-18(10-14-20)24-17-25(22-5-1-3-7-26(22)34)33-29-23-6-2-4-8-27(23)35-30(28(24)29)19-11-15-21(32)16-12-19/h1-17,30,34H.
What are the key properties of 2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol?
2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol has a molecular weight of 496.39 g/mol, XLogP of 8.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(4-chlorophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol is sourced from PubChem (CID 136810611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).