9-[8-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]pyrido[2,3-b]indole

C41H31N5 — CID 170153734

IUPAC9-[8-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]pyrido[2,3-b]indole
SMILESCC1(C)c2cccc(-n3c4ccccc4c4cccnc43)c2-c2cccc(-c3nc(C4=CCCC=C4)nc(-c4ccccc4)n3)c21
InChIInChI=1S/C41H31N5/c1-41(2)32-22-12-24-34(46-33-23-10-9-18-28(33)29-21-13-25-42-40(29)46)35(32)30-19-11-20-31(36(30)41)39-44-37(26-14-5-3-6-15-26)43-38(45-39)27-16-7-4-8-17-27/h3,5-7,9-25H,4,8H2,1-2H3
InChIKeyZGGTUXQGHSEKPK-UHFFFAOYSA-N
MW593.73 g/mol
LogP9.74
Rot. Bonds4

About 9-[8-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]pyrido[2,3-b]indole

9-[8-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]pyrido[2,3-b]indole (PubChem CID 170153734) has the molecular formula C41H31N5 and a molecular weight of 593.73 g/mol. Its IUPAC name is 9-[8-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[8-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]pyrido[2,3-b]indole
PubChem CID170153734
Molecular FormulaC41H31N5
Molecular Weight593.73 g/mol
Exact Mass593.26
IUPAC Name9-[8-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]pyrido[2,3-b]indole
SMILESCC1(C)c2cccc(-n3c4ccccc4c4cccnc43)c2-c2cccc(-c3nc(C4=CCCC=C4)nc(-c4ccccc4)n3)c21
InChIInChI=1S/C41H31N5/c1-41(2)32-22-12-24-34(46-33-23-10-9-18-28(33)29-21-13-25-42-40(29)46)35(32)30-19-11-20-31(36(30)41)39-44-37(26-14-5-3-6-15-26)43-38(45-39)27-16-7-4-8-17-27/h3,5-7,9-25H,4,8H2,1-2H3
InChIKeyZGGTUXQGHSEKPK-UHFFFAOYSA-N
XLogP9.74
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.73
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[8-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]pyrido[2,3-b]indole with MolForge

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Related Compounds

9-[9,9-dimethyl-8-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]pyrido[2,3-b]indole
CID 156578069
9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]pyrido[2,3-b]indole
CID 169276060
5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole
CID 145377307
11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole
CID 131973034
9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 166988116
5-(9,9-dimethylfluoren-4-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole
CID 129174065
9-[9-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 166988281
9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole
CID 163996729
2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine
CID 145390974
9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole
CID 70836919
3-[6-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 155401241
9-[10-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,4-dihydroanthracen-9-yl]carbazole
CID 145055582

Frequently Asked Questions

What is the IUPAC name of 9-[8-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-[8-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]pyrido[2,3-b]indole (CID 170153734) is 9-[8-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[8-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[8-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]pyrido[2,3-b]indole is CC1(C)c2cccc(-n3c4ccccc4c4cccnc43)c2-c2cccc(-c3nc(C4=CCCC=C4)nc(-c4ccccc4)n3)c21.
What is the InChIKey of 9-[8-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]pyrido[2,3-b]indole?
The InChIKey is ZGGTUXQGHSEKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N5/c1-41(2)32-22-12-24-34(46-33-23-10-9-18-28(33)29-21-13-25-42-40(29)46)35(32)30-19-11-20-31(36(30)41)39-44-37(26-14-5-3-6-15-26)43-38(45-39)27-16-7-4-8-17-27/h3,5-7,9-25H,4,8H2,1-2H3.
What are the key properties of 9-[8-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]pyrido[2,3-b]indole?
9-[8-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]pyrido[2,3-b]indole has a molecular weight of 593.73 g/mol, XLogP of 9.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 170153734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).