5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole

C42H30N4 — CID 58099058

IUPAC5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5cccc(-n6c7ccccc7c7cnccc76)c5)cn4)nc3)cc21
InChIInChI=1S/C42H30N4/c1-42(2)36-12-5-3-10-32(36)33-17-14-28(23-37(33)42)30-16-19-39(45-25-30)38-18-15-29(24-44-38)27-8-7-9-31(22-27)46-40-13-6-4-11-34(40)35-26-43-21-20-41(35)46/h3-26H,1-2H3
InChIKeyXPDPOQVURPNATM-UHFFFAOYSA-N
MW590.73 g/mol
LogP10.28
Rot. Bonds4

About 5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole

5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole (PubChem CID 58099058) has the molecular formula C42H30N4 and a molecular weight of 590.73 g/mol. Its IUPAC name is 5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
PubChem CID58099058
Molecular FormulaC42H30N4
Molecular Weight590.73 g/mol
Exact Mass590.25
IUPAC Name5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5cccc(-n6c7ccccc7c7cnccc76)c5)cn4)nc3)cc21
InChIInChI=1S/C42H30N4/c1-42(2)36-12-5-3-10-32(36)33-17-14-28(23-37(33)42)30-16-19-39(45-25-30)38-18-15-29(24-44-38)27-8-7-9-31(22-27)46-40-13-6-4-11-34(40)35-26-43-21-20-41(35)46/h3-26H,1-2H3
InChIKeyXPDPOQVURPNATM-UHFFFAOYSA-N
XLogP10.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole with MolForge

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Related Compounds

8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 146187854
9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 118919744
5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 58099053
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
CID 135298303
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole
CID 145340655
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 159307111

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole (CID 58099058) is 5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5cccc(-n6c7ccccc7c7cnccc76)c5)cn4)nc3)cc21.
What is the InChIKey of 5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole?
The InChIKey is XPDPOQVURPNATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4/c1-42(2)36-12-5-3-10-32(36)33-17-14-28(23-37(33)42)30-16-19-39(45-25-30)38-18-15-29(24-44-38)27-8-7-9-31(22-27)46-40-13-6-4-11-34(40)35-26-43-21-20-41(35)46/h3-26H,1-2H3.
What are the key properties of 5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole?
5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole has a molecular weight of 590.73 g/mol, XLogP of 10.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 58099058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).