2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N-phenylaniline

C43H33N5 — CID 154596550

IUPAC2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N-phenylaniline
SMILES[H]/N=C(/c1ccc2c(c1)-c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1C2(C)C)c1ccccc1Nc1ccccc1
InChIInChI=1S/C43H33N5/c1-43(2)36-24-22-30(39(44)33-20-12-13-21-38(33)45-32-18-10-5-11-19-32)26-34(36)35-27-31(23-25-37(35)43)42-47-40(28-14-6-3-7-15-28)46-41(48-42)29-16-8-4-9-17-29/h3-27,44-45H,1-2H3/b44-39-
InChIKeyYKRKIGFYVXOCNR-MLQFJZEUSA-N
MW619.77 g/mol
LogP10.34
Rot. Bonds7

About 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N-phenylaniline

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N-phenylaniline (PubChem CID 154596550) has the molecular formula C43H33N5 and a molecular weight of 619.77 g/mol. Its IUPAC name is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N-phenylaniline.

Molecular Properties

Compound Name2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N-phenylaniline
PubChem CID154596550
Molecular FormulaC43H33N5
Molecular Weight619.77 g/mol
Exact Mass619.27
IUPAC Name2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N-phenylaniline
SMILES[H]/N=C(/c1ccc2c(c1)-c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1C2(C)C)c1ccccc1Nc1ccccc1
InChIInChI=1S/C43H33N5/c1-43(2)36-24-22-30(39(44)33-20-12-13-21-38(33)45-32-18-10-5-11-19-32)26-34(36)35-27-31(23-25-37(35)43)42-47-40(28-14-6-3-7-15-28)46-41(48-42)29-16-8-4-9-17-29/h3-27,44-45H,1-2H3/b44-39-
InChIKeyYKRKIGFYVXOCNR-MLQFJZEUSA-N
XLogP10.34
TPSA74.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 510.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N,4-diphenylaniline
CID 154596750
2-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]benzenecarboximidoyl]-N-phenylaniline
CID 154596856
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline
CID 176869716
2-(9,9-dimethylfluoren-3-yl)-4-methyl-6-phenyl-1,3,5-triazine
CID 168805901
N-[[[9,9-dimethyl-7-[3-[2-(pyridin-4-ylamino)benzenecarboximidoyl]phenyl]fluoren-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide
CID 176869686
bis(2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine);2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161026217
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216
2-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
2-(9,9-dimethylfluoren-3-yl)-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150998
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154613773
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-2-(2-methylphenyl)-N-phenylaniline
CID 145277097
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N-phenylaniline?
The IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N-phenylaniline (CID 154596550) is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N-phenylaniline.
What is the SMILES notation for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N-phenylaniline?
The canonical SMILES for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N-phenylaniline is [H]/N=C(/c1ccc2c(c1)-c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1C2(C)C)c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N-phenylaniline?
The InChIKey is YKRKIGFYVXOCNR-MLQFJZEUSA-N. The full InChI is InChI=1S/C43H33N5/c1-43(2)36-24-22-30(39(44)33-20-12-13-21-38(33)45-32-18-10-5-11-19-32)26-34(36)35-27-31(23-25-37(35)43)42-47-40(28-14-6-3-7-15-28)46-41(48-42)29-16-8-4-9-17-29/h3-27,44-45H,1-2H3/b44-39-.
What are the key properties of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N-phenylaniline?
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N-phenylaniline has a molecular weight of 619.77 g/mol, XLogP of 10.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N-phenylaniline is sourced from PubChem (CID 154596550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).