7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine

C121H131N5 — CID 102098263

IUPAC7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2cc(-c3nc4cc5c(cc4nc3-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c6ccccc6)c6ccccc6)ccc3-4)C(CCCCCC)(CCCCCC)c3cc(/C=C/c4ccc(N(c6ccccc6)c6ccccc6)cc4)ccc3-5)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C121H131N5/c1-7-13-19-43-77-119(78-44-20-14-8-2)109-83-91(62-61-90-63-68-100(69-64-90)124(94-49-31-25-32-50-94)95-51-33-26-34-52-95)65-72-107(109)108-88-115-116(89-114(108)119)123-118(93-67-74-104-106-76-71-102(126(98-57-39-29-40-58-98)99-59-41-30-42-60-99)87-113(106)121(111(104)85-93,81-47-23-17-11-5)82-48-24-18-12-6)117(122-115)92-66-73-103-105-75-70-101(125(96-53-35-27-36-54-96)97-55-37-28-38-56-97)86-112(105)120(110(103)84-92,79-45-21-15-9-3)80-46-22-16-10-4/h25-42,49-76,83-89H,7-24,43-48,77-82H2,1-6H3/b62-61+
InChIKeyVPZYPRFNRAXQSF-AIDPXTNXSA-N
MW1655.41 g/mol
LogP36.17
Rot. Bonds43

About 7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine

7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine (PubChem CID 102098263) has the molecular formula C121H131N5 and a molecular weight of 1655.41 g/mol. Its IUPAC name is 7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
PubChem CID102098263
Molecular FormulaC121H131N5
Molecular Weight1655.41 g/mol
Exact Mass1654.04
IUPAC Name7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2cc(-c3nc4cc5c(cc4nc3-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c6ccccc6)c6ccccc6)ccc3-4)C(CCCCCC)(CCCCCC)c3cc(/C=C/c4ccc(N(c6ccccc6)c6ccccc6)cc4)ccc3-5)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C121H131N5/c1-7-13-19-43-77-119(78-44-20-14-8-2)109-83-91(62-61-90-63-68-100(69-64-90)124(94-49-31-25-32-50-94)95-51-33-26-34-52-95)65-72-107(109)108-88-115-116(89-114(108)119)123-118(93-67-74-104-106-76-71-102(126(98-57-39-29-40-58-98)99-59-41-30-42-60-99)87-113(106)121(111(104)85-93,81-47-23-17-11-5)82-48-24-18-12-6)117(122-115)92-66-73-103-105-75-70-101(125(96-53-35-27-36-54-96)97-55-37-28-38-56-97)86-112(105)120(110(103)84-92,79-45-21-15-9-3)80-46-22-16-10-4/h25-42,49-76,83-89H,7-24,43-48,77-82H2,1-6H3/b62-61+
InChIKeyVPZYPRFNRAXQSF-AIDPXTNXSA-N
XLogP36.17
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds43
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001655.41
LogP ≤ 536.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-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
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
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
11,12-Dimethyl-3,6-bis(4-methylpiperazin-1-yl)phenanthro[9,10-b]quinoxaline
CID 166633996
1,3,6,6,9,10-Hexamethyl-5,6-dihydrobenzo[a]phenazine
CID 3915458
Acenaphtho[1,2-b]benzo[f]quinoxaline
CID 136050
11,12-Dimethyldibenzo(A,C)phenazine
CID 3699799
(1S,14S,15S,18R,19R,22S,23R)-8,14,18-trimethyl-19-[(2R)-6-methylheptan-2-yl]-4-azahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaene
CID 71497771
(3S,4S,7R,8R,11S,12R,15S)-3,7-dimethyl-8-[(2R)-6-methylheptan-2-yl]-18-azaheptacyclo[15.12.0.03,15.04,12.07,11.019,28.021,26]nonacosa-1(29),17,19,21,23,25,27-heptaene
CID 71497853

Frequently Asked Questions

What is the IUPAC name of 7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine?
The IUPAC name of 7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine (CID 102098263) is 7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine is CCCCCCC1(CCCCCC)c2cc(-c3nc4cc5c(cc4nc3-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c6ccccc6)c6ccccc6)ccc3-4)C(CCCCCC)(CCCCCC)c3cc(/C=C/c4ccc(N(c6ccccc6)c6ccccc6)cc4)ccc3-5)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine?
The InChIKey is VPZYPRFNRAXQSF-AIDPXTNXSA-N. The full InChI is InChI=1S/C121H131N5/c1-7-13-19-43-77-119(78-44-20-14-8-2)109-83-91(62-61-90-63-68-100(69-64-90)124(94-49-31-25-32-50-94)95-51-33-26-34-52-95)65-72-107(109)108-88-115-116(89-114(108)119)123-118(93-67-74-104-106-76-71-102(126(98-57-39-29-40-58-98)99-59-41-30-42-60-99)87-113(106)121(111(104)85-93,81-47-23-17-11-5)82-48-24-18-12-6)117(122-115)92-66-73-103-105-75-70-101(125(96-53-35-27-36-54-96)97-55-37-28-38-56-97)86-112(105)120(110(103)84-92,79-45-21-15-9-3)80-46-22-16-10-4/h25-42,49-76,83-89H,7-24,43-48,77-82H2,1-6H3/b62-61+.
What are the key properties of 7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine?
7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine has a molecular weight of 1655.41 g/mol, XLogP of 36.17, 43 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 102098263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).