9-[6-[6-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[3,4-b]indole

C41H31N5 — CID 69093573

IUPAC9-[6-[6-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[3,4-b]indole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5cccc(-n6c7c(c8ccccc86)C=CNC7)n5)n4)n3)cc21
InChIInChI=1S/C41H31N5/c1-41(2)31-12-5-3-10-27(31)28-21-20-26(24-32(28)41)33-13-7-14-34(43-33)35-15-8-16-36(44-35)37-17-9-19-40(45-37)46-38-18-6-4-11-29(38)30-22-23-42-25-39(30)46/h3-24,42H,25H2,1-2H3
InChIKeyZXCDFQJIQWNHRE-UHFFFAOYSA-N
MW593.73 g/mol
LogP9.20
Rot. Bonds4

About 9-[6-[6-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[3,4-b]indole

9-[6-[6-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[3,4-b]indole (PubChem CID 69093573) has the molecular formula C41H31N5 and a molecular weight of 593.73 g/mol. Its IUPAC name is 9-[6-[6-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[6-[6-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[3,4-b]indole
PubChem CID69093573
Molecular FormulaC41H31N5
Molecular Weight593.73 g/mol
Exact Mass593.26
IUPAC Name9-[6-[6-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[3,4-b]indole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5cccc(-n6c7c(c8ccccc86)C=CNC7)n5)n4)n3)cc21
InChIInChI=1S/C41H31N5/c1-41(2)31-12-5-3-10-27(31)28-21-20-26(24-32(28)41)33-13-7-14-34(43-33)35-15-8-16-36(44-35)37-17-9-19-40(45-37)46-38-18-6-4-11-29(38)30-22-23-42-25-39(30)46/h3-24,42H,25H2,1-2H3
InChIKeyZXCDFQJIQWNHRE-UHFFFAOYSA-N
XLogP9.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.73
LogP ≤ 59.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[6-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]carbazole
CID 67678292
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122537534
2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine
CID 175358146
4-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[6-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(6-triphenylen-2-yl-2-pyridinyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 159986291
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
7,7-dimethyl-5-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole
CID 134427149
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114
5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole
CID 129084148
1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312405

Frequently Asked Questions

What is the IUPAC name of 9-[6-[6-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[3,4-b]indole?
The IUPAC name of 9-[6-[6-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[3,4-b]indole (CID 69093573) is 9-[6-[6-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[3,4-b]indole.
What is the SMILES notation for 9-[6-[6-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[3,4-b]indole?
The canonical SMILES for 9-[6-[6-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[3,4-b]indole is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5cccc(-n6c7c(c8ccccc86)C=CNC7)n5)n4)n3)cc21.
What is the InChIKey of 9-[6-[6-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[3,4-b]indole?
The InChIKey is ZXCDFQJIQWNHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N5/c1-41(2)31-12-5-3-10-27(31)28-21-20-26(24-32(28)41)33-13-7-14-34(43-33)35-15-8-16-36(44-35)37-17-9-19-40(45-37)46-38-18-6-4-11-29(38)30-22-23-42-25-39(30)46/h3-24,42H,25H2,1-2H3.
What are the key properties of 9-[6-[6-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[3,4-b]indole?
9-[6-[6-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[3,4-b]indole has a molecular weight of 593.73 g/mol, XLogP of 9.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[6-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[3,4-b]indole is sourced from PubChem (CID 69093573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).