5-dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole

C45H25F2N5O — CID 144612634

IUPAC5-dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole
SMILESFc1cc(F)c(-c2ccc3c(c2)c2ncccc2n3-c2ccc3c(c2)c2ncccc2n3-c2ccc3oc4ccccc4c3c2)c(-c2ccccn2)c1
InChIInChI=1S/C45H25F2N5O/c46-27-22-32(36-8-3-4-18-48-36)43(35(47)23-27)26-12-15-37-33(21-26)44-39(9-5-19-49-44)51(37)28-13-16-38-34(25-28)45-40(10-6-20-50-45)52(38)29-14-17-42-31(24-29)30-7-1-2-11-41(30)53-42/h1-25H
InChIKeyIDTHINFFGIECHV-UHFFFAOYSA-N
MW689.73 g/mol
LogP11.58
Rot. Bonds4

About 5-dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole

5-dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole (PubChem CID 144612634) has the molecular formula C45H25F2N5O and a molecular weight of 689.73 g/mol. Its IUPAC name is 5-dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole
PubChem CID144612634
Molecular FormulaC45H25F2N5O
Molecular Weight689.73 g/mol
Exact Mass689.20
IUPAC Name5-dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole
SMILESFc1cc(F)c(-c2ccc3c(c2)c2ncccc2n3-c2ccc3c(c2)c2ncccc2n3-c2ccc3oc4ccccc4c3c2)c(-c2ccccn2)c1
InChIInChI=1S/C45H25F2N5O/c46-27-22-32(36-8-3-4-18-48-36)43(35(47)23-27)26-12-15-37-33(21-26)44-39(9-5-19-49-44)51(37)28-13-16-38-34(25-28)45-40(10-6-20-50-45)52(38)29-14-17-42-31(24-29)30-7-1-2-11-41(30)53-42/h1-25H
InChIKeyIDTHINFFGIECHV-UHFFFAOYSA-N
XLogP11.58
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.73
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[2-(1-Benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole
CID 10152578
3-[1-[2-(1-Benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(2-methylpyrazol-3-yl)indole
CID 10174669
3-[1-[2-(1-Benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(1-methylpyrazol-4-yl)indole
CID 10196150
3-[1-[2-(1-Benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole
CID 10239365
2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenylcarbazole-2,7-diamine
CID 23593191
2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
CID 23593276
9-(8-Fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
CID 58511053
3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 68230409
2,3-Bis[4-[8-(1-benzofuran-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]butanedinitrile
CID 69157353
2,3-Bis[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]butanedinitrile
CID 69159156
3,6-Di(carbazol-9-yl)-9-(8-fluorodibenzofuran-2-yl)carbazole
CID 89505208

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole?
The IUPAC name of 5-dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole (CID 144612634) is 5-dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole?
The canonical SMILES for 5-dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole is Fc1cc(F)c(-c2ccc3c(c2)c2ncccc2n3-c2ccc3c(c2)c2ncccc2n3-c2ccc3oc4ccccc4c3c2)c(-c2ccccn2)c1.
What is the InChIKey of 5-dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole?
The InChIKey is IDTHINFFGIECHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25F2N5O/c46-27-22-32(36-8-3-4-18-48-36)43(35(47)23-27)26-12-15-37-33(21-26)44-39(9-5-19-49-44)51(37)28-13-16-38-34(25-28)45-40(10-6-20-50-45)52(38)29-14-17-42-31(24-29)30-7-1-2-11-41(30)53-42/h1-25H.
What are the key properties of 5-dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole?
5-dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole has a molecular weight of 689.73 g/mol, XLogP of 11.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 144612634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).