2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine

C54H40N4 — CID 70854334

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(C4=C(CCC(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)=C4)c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C54H40N4/c1-35-21-26-40(27-22-35)58(41-28-23-36(2)24-29-41)42-30-32-46-44-18-10-12-20-48(44)54(50(46)34-42)47-19-11-9-17-43(47)45-31-25-39(33-49(45)54)53-56-51(37-13-5-3-6-14-37)55-52(57-53)38-15-7-4-8-16-38/h3-24,26-30,32-34H,25,31H2,1-2H3
InChIKeyFMLDRIPQULLBQD-UHFFFAOYSA-N
MW744.94 g/mol
LogP13.25
Rot. Bonds6

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine (PubChem CID 70854334) has the molecular formula C54H40N4 and a molecular weight of 744.94 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
PubChem CID70854334
Molecular FormulaC54H40N4
Molecular Weight744.94 g/mol
Exact Mass744.33
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(C4=C(CCC(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)=C4)c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C54H40N4/c1-35-21-26-40(27-22-35)58(41-28-23-36(2)24-29-41)42-30-32-46-44-18-10-12-20-48(44)54(50(46)34-42)47-19-11-9-17-43(47)45-31-25-39(33-49(45)54)53-56-51(37-13-5-3-6-14-37)55-52(57-53)38-15-7-4-8-16-38/h3-24,26-30,32-34H,25,31H2,1-2H3
InChIKeyFMLDRIPQULLBQD-UHFFFAOYSA-N
XLogP13.25
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.94
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58233363
2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine
CID 70809697
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 121340784
N-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine
CID 66807487
N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 88886994
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
2-(5-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)-4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 139376539
2-N'-[4-(3-methylphenyl)phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 170019632
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 89334238
N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 146581337

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine (CID 70854334) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(C4=C(CCC(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)=C4)c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine?
The InChIKey is FMLDRIPQULLBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N4/c1-35-21-26-40(27-22-35)58(41-28-23-36(2)24-29-41)42-30-32-46-44-18-10-12-20-48(44)54(50(46)34-42)47-19-11-9-17-43(47)45-31-25-39(33-49(45)54)53-56-51(37-13-5-3-6-14-37)55-52(57-53)38-15-7-4-8-16-38/h3-24,26-30,32-34H,25,31H2,1-2H3.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine has a molecular weight of 744.94 g/mol, XLogP of 13.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 70854334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).