2-(6,6-dimethyl-12-methylideneindeno[1,2-b]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine

C38H27N3 — CID 138646334

IUPAC2-(6,6-dimethyl-12-methylideneindeno[1,2-b]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESC=C1c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cc3c(cc21)-c1ccccc1C3(C)C
InChIInChI=1S/C38H27N3/c1-23-29-20-26(37-40-35(24-12-6-4-7-13-24)39-36(41-37)25-14-8-5-9-15-25)18-19-27(29)31-22-34-32(21-30(23)31)28-16-10-11-17-33(28)38(34,2)3/h4-22H,1H2,2-3H3
InChIKeyLGNLHQOOXNDLMB-UHFFFAOYSA-N
MW525.66 g/mol
LogP9.22
Rot. Bonds3

About 2-(6,6-dimethyl-12-methylideneindeno[1,2-b]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine

2-(6,6-dimethyl-12-methylideneindeno[1,2-b]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 138646334) has the molecular formula C38H27N3 and a molecular weight of 525.66 g/mol. Its IUPAC name is 2-(6,6-dimethyl-12-methylideneindeno[1,2-b]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(6,6-dimethyl-12-methylideneindeno[1,2-b]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID138646334
Molecular FormulaC38H27N3
Molecular Weight525.66 g/mol
Exact Mass525.22
IUPAC Name2-(6,6-dimethyl-12-methylideneindeno[1,2-b]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESC=C1c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cc3c(cc21)-c1ccccc1C3(C)C
InChIInChI=1S/C38H27N3/c1-23-29-20-26(37-40-35(24-12-6-4-7-13-24)39-36(41-37)25-14-8-5-9-15-25)18-19-27(29)31-22-34-32(21-30(23)31)28-16-10-11-17-33(28)38(34,2)3/h4-22H,1H2,2-3H3
InChIKeyLGNLHQOOXNDLMB-UHFFFAOYSA-N
XLogP9.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
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
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
CID 118530501
2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139400666
2-(9,9-dimethylfluoren-3-yl)-4-methyl-6-phenyl-1,3,5-triazine
CID 168805901
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
2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158946887
2-[3-(10,10,14,14,15,15-hexamethyl-7-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10,20,20,21,21-hexamethyl-7-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18-nonaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163788746
2-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethyl-12-methylideneindeno[1,2-b]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(6,6-dimethyl-12-methylideneindeno[1,2-b]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 138646334) is 2-(6,6-dimethyl-12-methylideneindeno[1,2-b]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(6,6-dimethyl-12-methylideneindeno[1,2-b]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(6,6-dimethyl-12-methylideneindeno[1,2-b]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine is C=C1c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cc3c(cc21)-c1ccccc1C3(C)C.
What is the InChIKey of 2-(6,6-dimethyl-12-methylideneindeno[1,2-b]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is LGNLHQOOXNDLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3/c1-23-29-20-26(37-40-35(24-12-6-4-7-13-24)39-36(41-37)25-14-8-5-9-15-25)18-19-27(29)31-22-34-32(21-30(23)31)28-16-10-11-17-33(28)38(34,2)3/h4-22H,1H2,2-3H3.
What are the key properties of 2-(6,6-dimethyl-12-methylideneindeno[1,2-b]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
2-(6,6-dimethyl-12-methylideneindeno[1,2-b]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 525.66 g/mol, XLogP of 9.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-12-methylideneindeno[1,2-b]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 138646334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).