10-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole

C38H28FN3O — CID 140954062

IUPAC10-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole
SMILESCC1(C)c2ccccc2Oc2ccc3c(c21)c1ccc(C(F)c2cccc(-c4ccccn4)c2)cc1n3-c1ccccn1
InChIInChI=1S/C38H28FN3O/c1-38(2)28-12-3-4-14-32(28)43-33-19-18-30-35(36(33)38)27-17-16-26(23-31(27)42(30)34-15-6-8-21-41-34)37(39)25-11-9-10-24(22-25)29-13-5-7-20-40-29/h3-23,37H,1-2H3
InChIKeySVXKCECZNCBLNK-UHFFFAOYSA-N
MW561.66 g/mol
LogP9.73
Rot. Bonds4

About 10-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole

10-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole (PubChem CID 140954062) has the molecular formula C38H28FN3O and a molecular weight of 561.66 g/mol. Its IUPAC name is 10-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole.

Molecular Properties

Compound Name10-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole
PubChem CID140954062
Molecular FormulaC38H28FN3O
Molecular Weight561.66 g/mol
Exact Mass561.22
IUPAC Name10-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole
SMILESCC1(C)c2ccccc2Oc2ccc3c(c21)c1ccc(C(F)c2cccc(-c4ccccn4)c2)cc1n3-c1ccccn1
InChIInChI=1S/C38H28FN3O/c1-38(2)28-12-3-4-14-32(28)43-33-19-18-30-35(36(33)38)27-17-16-26(23-31(27)42(30)34-15-6-8-21-41-34)37(39)25-11-9-10-24(22-25)29-13-5-7-20-40-29/h3-23,37H,1-2H3
InChIKeySVXKCECZNCBLNK-UHFFFAOYSA-N
XLogP9.73
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.66
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Retelliptine
CID 68913
6H-Pyrido(4,3-b)carbazole, 1-((3-aminopropyl)amino)-9-methoxy-5-methyl-, dihydrate
CID 135594
6H-Pyrido(4,3-b)carbazole, 1-((3-(4-aminopropyl-1-piperazinyl)propyl)amino)-9-methoxy-5-methyl-
CID 135608
1,3-Propanediamine, N,N-diethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 149478
6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-1-((3-(dimethylamino)propyl)amino)-9-methoxy-, ethanol
CID 153726
1,3-Propanediamine, N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 3068868
1,3-Propanediamine, N'-(5,11-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-N-ethyl-
CID 3068869
N'-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl]-N'-methyl-propane-1,3-diamine
CID 393666
6H-Pyrido(4,3-b)carbazole, 1-((3-(N-aminopropyl)-N-ethylamino)propyl)amino-9-methoxy-5-methyl-
CID 135595
6H-Pyrido(4,3-b)carbazole, 1-((2-aminoethyl)amino)-9-methoxy-5-methyl-, hemihydrate
CID 153725
1,2-Ethanediamine, N,N-diethyl-N'-(5,6-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-, hemihydrate
CID 3068871
7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine
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Frequently Asked Questions

What is the IUPAC name of 10-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole?
The IUPAC name of 10-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole (CID 140954062) is 10-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole.
What is the SMILES notation for 10-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole?
The canonical SMILES for 10-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole is CC1(C)c2ccccc2Oc2ccc3c(c21)c1ccc(C(F)c2cccc(-c4ccccn4)c2)cc1n3-c1ccccn1.
What is the InChIKey of 10-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole?
The InChIKey is SVXKCECZNCBLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28FN3O/c1-38(2)28-12-3-4-14-32(28)43-33-19-18-30-35(36(33)38)27-17-16-26(23-31(27)42(30)34-15-6-8-21-41-34)37(39)25-11-9-10-24(22-25)29-13-5-7-20-40-29/h3-23,37H,1-2H3.
What are the key properties of 10-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole?
10-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole has a molecular weight of 561.66 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[fluoro-(3-pyridin-2-ylphenyl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole is sourced from PubChem (CID 140954062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).