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

C41H29N5 — CID 135298303

IUPAC5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cnccc65)c4)n3)cccc21
InChIInChI=1S/C41H29N5/c1-41(2)33-19-8-6-17-30(33)37-31(18-11-20-34(37)41)40-44-38(26-12-4-3-5-13-26)43-39(45-40)27-14-10-15-28(24-27)46-35-21-9-7-16-29(35)32-25-42-23-22-36(32)46/h3-25H,1-2H3
InChIKeyHXOCGPIFGWJJFZ-UHFFFAOYSA-N
MW591.72 g/mol
LogP9.67
Rot. Bonds4

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

5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole (PubChem CID 135298303) has the molecular formula C41H29N5 and a molecular weight of 591.72 g/mol. Its IUPAC name is 5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
PubChem CID135298303
Molecular FormulaC41H29N5
Molecular Weight591.72 g/mol
Exact Mass591.24
IUPAC Name5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cnccc65)c4)n3)cccc21
InChIInChI=1S/C41H29N5/c1-41(2)33-19-8-6-17-30(33)37-31(18-11-20-34(37)41)40-44-38(26-12-4-3-5-13-26)43-39(45-40)27-14-10-15-28(24-27)46-35-21-9-7-16-29(35)32-25-42-23-22-36(32)46/h3-25H,1-2H3
InChIKeyHXOCGPIFGWJJFZ-UHFFFAOYSA-N
XLogP9.67
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.72
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163655067
5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
CID 176634805
9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 135298296
9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142504785
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole
CID 176634741
9-[5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-3-phenylcarbazole
CID 177287146
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 90059498
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140
5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 58099058
9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 154624198

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole (CID 135298303) is 5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cnccc65)c4)n3)cccc21.
What is the InChIKey of 5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole?
The InChIKey is HXOCGPIFGWJJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N5/c1-41(2)33-19-8-6-17-30(33)37-31(18-11-20-34(37)41)40-44-38(26-12-4-3-5-13-26)43-39(45-40)27-14-10-15-28(24-27)46-35-21-9-7-16-29(35)32-25-42-23-22-36(32)46/h3-25H,1-2H3.
What are the key properties of 5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole?
5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole has a molecular weight of 591.72 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 135298303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).