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

C55H42N4 — CID 146581337

IUPACN-(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
SMILESCc1ccc(N(C2=CCC(C)(C)C=C2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)cc1
InChIInChI=1S/C55H42N4/c1-36-22-25-40(26-23-36)59(41-30-32-54(2,3)33-31-41)42-27-29-46-44-19-11-13-21-48(44)55(50(46)35-42)47-20-12-10-18-43(47)45-28-24-39(34-49(45)55)53-57-51(37-14-6-4-7-15-37)56-52(58-53)38-16-8-5-9-17-38/h4-32,34-35H,33H2,1-3H3
InChIKeyHUTYITAKISNPMC-UHFFFAOYSA-N
MW758.97 g/mol
LogP13.53
Rot. Bonds6

About 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

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 (PubChem CID 146581337) has the molecular formula C55H42N4 and a molecular weight of 758.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID146581337
Molecular FormulaC55H42N4
Molecular Weight758.97 g/mol
Exact Mass758.34
IUPAC NameN-(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
SMILESCc1ccc(N(C2=CCC(C)(C)C=C2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)cc1
InChIInChI=1S/C55H42N4/c1-36-22-25-40(26-23-36)59(41-30-32-54(2,3)33-31-41)42-27-29-46-44-19-11-13-21-48(44)55(50(46)35-42)47-20-12-10-18-43(47)45-28-24-39(34-49(45)55)53-57-51(37-14-6-4-7-15-37)56-52(58-53)38-16-8-5-9-17-38/h4-32,34-35H,33H2,1-3H3
InChIKeyHUTYITAKISNPMC-UHFFFAOYSA-N
XLogP13.53
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.97
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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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
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
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 121340784
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-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
N-(5-phenylcyclohepta-1,4,6-trien-1-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 138555374
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 153302504
2-(4-methylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 171844757
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
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
CID 146778446
N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine
CID 171727116
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(C2=CCC(C)(C)C=C2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)cc1.
What is the InChIKey of 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?
The InChIKey is HUTYITAKISNPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N4/c1-36-22-25-40(26-23-36)59(41-30-32-54(2,3)33-31-41)42-27-29-46-44-19-11-13-21-48(44)55(50(46)35-42)47-20-12-10-18-43(47)45-28-24-39(34-49(45)55)53-57-51(37-14-6-4-7-15-37)56-52(58-53)38-16-8-5-9-17-38/h4-32,34-35H,33H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 758.97 g/mol, XLogP of 13.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146581337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).