7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine

C84H90N4 — CID 102114219

IUPAC7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
SMILESC=Cc1ccc2nc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)c(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)nc2c1
InChIInChI=1S/C84H90N4/c1-6-11-15-31-53-83(54-32-16-12-7-2)75-58-63(44-48-71(75)73-50-46-69(60-77(73)83)87(65-35-23-19-24-36-65)66-37-25-20-26-38-66)81-82(86-80-57-62(10-5)43-52-79(80)85-81)64-45-49-72-74-51-47-70(88(67-39-27-21-28-40-67)68-41-29-22-30-42-68)61-78(74)84(76(72)59-64,55-33-17-13-8-3)56-34-18-14-9-4/h10,19-30,35-52,57-61H,5-9,11-18,31-34,53-56H2,1-4H3
InChIKeyGJJBXTKTWVIHFV-UHFFFAOYSA-N
MW1155.67 g/mol
LogP24.96
Rot. Bonds29

About 7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine

7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine (PubChem CID 102114219) has the molecular formula C84H90N4 and a molecular weight of 1155.67 g/mol. Its IUPAC name is 7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
PubChem CID102114219
Molecular FormulaC84H90N4
Molecular Weight1155.67 g/mol
Exact Mass1154.72
IUPAC Name7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
SMILESC=Cc1ccc2nc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)c(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)nc2c1
InChIInChI=1S/C84H90N4/c1-6-11-15-31-53-83(54-32-16-12-7-2)75-58-63(44-48-71(75)73-50-46-69(60-77(73)83)87(65-35-23-19-24-36-65)66-37-25-20-26-38-66)81-82(86-80-57-62(10-5)43-52-79(80)85-81)64-45-49-72-74-51-47-70(88(67-39-27-21-28-40-67)68-41-29-22-30-42-68)61-78(74)84(76(72)59-64,55-33-17-13-8-3)56-34-18-14-9-4/h10,19-30,35-52,57-61H,5-9,11-18,31-34,53-56H2,1-4H3
InChIKeyGJJBXTKTWVIHFV-UHFFFAOYSA-N
XLogP24.96
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.67
LogP ≤ 524.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine with MolForge

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Related Compounds

6,7-Dimethyl-2,3-diphenylquinoxaline
CID 254079
Tetrabenzo[a,c,H,j]phenazine
CID 633293
Dibenzo(a,c)phenazine
CID 9166
1,2,3,4,6,7-Tribenzophenazine
CID 136037
9-Methylacenaphtho(1,2-B)-quinoxaline
CID 294570
7-Methyl-1,2,3,4-dibenzophenazine
CID 294851
2,3-Diphenylbenzo[g]quinoxaline
CID 343553
2-(3,4-Dicyanophenyl)-3-phenyl-6,7-quinoxalinedicarbonitrile
CID 1217579
5,10-Bis(4-methylpiperazin-1-yl)-15,26-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8(13),9,11,14,16,18,20,22,24-tridecaene
CID 166626177
3,6-Bis(4-methylpiperazin-1-yl)phenanthro[9,10-b]quinoxaline
CID 166627164
(14R,15S,18R,19R,22S,23S)-14,18-dimethyl-19-[(2R)-6-methylheptan-2-yl]-3-phenyl-10-azahexacyclo[12.11.0.02,11.04,9.015,23.018,22]pentacosa-1(25),2,4,6,8,10-hexaene
CID 166632730
11,12-Dimethyl-3,6-bis(4-methylpiperazin-1-yl)phenanthro[9,10-b]quinoxaline
CID 166633996

Frequently Asked Questions

What is the IUPAC name of 7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine?
The IUPAC name of 7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine (CID 102114219) is 7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine is C=Cc1ccc2nc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)c(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)nc2c1.
What is the InChIKey of 7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine?
The InChIKey is GJJBXTKTWVIHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H90N4/c1-6-11-15-31-53-83(54-32-16-12-7-2)75-58-63(44-48-71(75)73-50-46-69(60-77(73)83)87(65-35-23-19-24-36-65)66-37-25-20-26-38-66)81-82(86-80-57-62(10-5)43-52-79(80)85-81)64-45-49-72-74-51-47-70(88(67-39-27-21-28-40-67)68-41-29-22-30-42-68)61-78(74)84(76(72)59-64,55-33-17-13-8-3)56-34-18-14-9-4/h10,19-30,35-52,57-61H,5-9,11-18,31-34,53-56H2,1-4H3.
What are the key properties of 7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine?
7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine has a molecular weight of 1155.67 g/mol, XLogP of 24.96, 29 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 102114219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).