9-[5-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenyl-3,4,4a,9a-tetrahydrocarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4b,8a-dihydrofluoren-2-amine

C85H78N2O — CID 155015931

IUPAC9-[5-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenyl-3,4,4a,9a-tetrahydrocarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4b,8a-dihydrofluoren-2-amine
SMILESC=Cc1ccc(-c2ccc3c(c2)C2CC(c4ccc(N(C5=CCC(c6ccccc6)C=C5)c5ccc6c(c5)C(CCCCC(C)Oc5cc(C)c(-c7ccc(C=C)cc7)cc5C)(c5ccccc5)C5C=CC=CC65)cc4)C=CC2N3c2ccccc2)cc1
InChIInChI=1S/C85H78N2O/c1-6-61-30-34-65(35-31-61)68-42-50-82-78(55-68)79-56-69(43-51-83(79)87(82)71-26-15-10-16-27-71)66-40-46-73(47-41-66)86(72-44-38-64(39-45-72)63-22-11-8-12-23-63)74-48-49-76-75-28-17-18-29-80(75)85(81(76)57-74,70-24-13-9-14-25-70)52-20-19-21-60(5)88-84-54-58(3)77(53-59(84)4)67-36-32-62(7-2)33-37-67/h6-18,22-38,40-51,53-55,57,60,64,69,75,79-80,83H,1-2,19-21,39,52,56H2,3-5H3
InChIKeySTKORYOZWXNJMC-UHFFFAOYSA-N
MW1143.57 g/mol
LogP22.19
Rot. Bonds18

About 9-[5-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenyl-3,4,4a,9a-tetrahydrocarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4b,8a-dihydrofluoren-2-amine

9-[5-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenyl-3,4,4a,9a-tetrahydrocarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4b,8a-dihydrofluoren-2-amine (PubChem CID 155015931) has the molecular formula C85H78N2O and a molecular weight of 1143.57 g/mol. Its IUPAC name is 9-[5-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenyl-3,4,4a,9a-tetrahydrocarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4b,8a-dihydrofluoren-2-amine.

Molecular Properties

Compound Name9-[5-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenyl-3,4,4a,9a-tetrahydrocarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4b,8a-dihydrofluoren-2-amine
PubChem CID155015931
Molecular FormulaC85H78N2O
Molecular Weight1143.57 g/mol
Exact Mass1142.61
IUPAC Name9-[5-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenyl-3,4,4a,9a-tetrahydrocarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4b,8a-dihydrofluoren-2-amine
SMILESC=Cc1ccc(-c2ccc3c(c2)C2CC(c4ccc(N(C5=CCC(c6ccccc6)C=C5)c5ccc6c(c5)C(CCCCC(C)Oc5cc(C)c(-c7ccc(C=C)cc7)cc5C)(c5ccccc5)C5C=CC=CC65)cc4)C=CC2N3c2ccccc2)cc1
InChIInChI=1S/C85H78N2O/c1-6-61-30-34-65(35-31-61)68-42-50-82-78(55-68)79-56-69(43-51-83(79)87(82)71-26-15-10-16-27-71)66-40-46-73(47-41-66)86(72-44-38-64(39-45-72)63-22-11-8-12-23-63)74-48-49-76-75-28-17-18-29-80(75)85(81(76)57-74,70-24-13-9-14-25-70)52-20-19-21-60(5)88-84-54-58(3)77(53-59(84)4)67-36-32-62(7-2)33-37-67/h6-18,22-38,40-51,53-55,57,60,64,69,75,79-80,83H,1-2,19-21,39,52,56H2,3-5H3
InChIKeySTKORYOZWXNJMC-UHFFFAOYSA-N
XLogP22.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001143.57
LogP ≤ 522.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-[5-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenyl-3,4,4a,9a-tetrahydrocarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4b,8a-dihydrofluoren-2-amine with MolForge

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Related Compounds

9-[6-(4-ethenylphenoxy)hexyl]-N-[4-[4-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155122620
9-[6-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]-2,5-dimethylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[6-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]-5-methylhexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158797162
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
N-(4-tert-butylphenyl)-9-[6-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylfluoren-2-amine;N-[4-(4-tert-butylphenyl)phenyl]-9-[4-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]butyl]-N-[4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylfluoren-2-amine
CID 159772190
N-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 139472623
N-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-1-methyl-N-[4-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]spiro[1,2,4a,9a-tetrahydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-amine
CID 166751425
N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 164821085
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]fluoren-2-amine
CID 163616373
N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline
CID 118554549
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 129301169
N-cyclohex-2-en-1-yl-N-[4-[6-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]phenyl]-9-[6-[4-(4-ethenylphenyl)phenoxy]hexyl]-9-phenyl-4b,5,6,8a-tetrahydrofluoren-2-amine
CID 155015623
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]aniline
CID 167073633

Frequently Asked Questions

What is the IUPAC name of 9-[5-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenyl-3,4,4a,9a-tetrahydrocarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4b,8a-dihydrofluoren-2-amine?
The IUPAC name of 9-[5-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenyl-3,4,4a,9a-tetrahydrocarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4b,8a-dihydrofluoren-2-amine (CID 155015931) is 9-[5-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenyl-3,4,4a,9a-tetrahydrocarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4b,8a-dihydrofluoren-2-amine.
What is the SMILES notation for 9-[5-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenyl-3,4,4a,9a-tetrahydrocarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4b,8a-dihydrofluoren-2-amine?
The canonical SMILES for 9-[5-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenyl-3,4,4a,9a-tetrahydrocarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4b,8a-dihydrofluoren-2-amine is C=Cc1ccc(-c2ccc3c(c2)C2CC(c4ccc(N(C5=CCC(c6ccccc6)C=C5)c5ccc6c(c5)C(CCCCC(C)Oc5cc(C)c(-c7ccc(C=C)cc7)cc5C)(c5ccccc5)C5C=CC=CC65)cc4)C=CC2N3c2ccccc2)cc1.
What is the InChIKey of 9-[5-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenyl-3,4,4a,9a-tetrahydrocarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4b,8a-dihydrofluoren-2-amine?
The InChIKey is STKORYOZWXNJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H78N2O/c1-6-61-30-34-65(35-31-61)68-42-50-82-78(55-68)79-56-69(43-51-83(79)87(82)71-26-15-10-16-27-71)66-40-46-73(47-41-66)86(72-44-38-64(39-45-72)63-22-11-8-12-23-63)74-48-49-76-75-28-17-18-29-80(75)85(81(76)57-74,70-24-13-9-14-25-70)52-20-19-21-60(5)88-84-54-58(3)77(53-59(84)4)67-36-32-62(7-2)33-37-67/h6-18,22-38,40-51,53-55,57,60,64,69,75,79-80,83H,1-2,19-21,39,52,56H2,3-5H3.
What are the key properties of 9-[5-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenyl-3,4,4a,9a-tetrahydrocarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4b,8a-dihydrofluoren-2-amine?
9-[5-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenyl-3,4,4a,9a-tetrahydrocarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4b,8a-dihydrofluoren-2-amine has a molecular weight of 1143.57 g/mol, XLogP of 22.19, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[4-(4-ethenylphenyl)-2,5-dimethylphenoxy]hexyl]-N-[4-[6-(4-ethenylphenyl)-9-phenyl-3,4,4a,9a-tetrahydrocarbazol-3-yl]phenyl]-9-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4b,8a-dihydrofluoren-2-amine is sourced from PubChem (CID 155015931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).