9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine

C91H78N2 — CID 144690360

IUPAC9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESC=Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C=C)cc4)ccc2n3-c2ccc3c(c2)C(CCCCCc2ccc4c(c2)CC4)(CCCCCc2ccc4c(c2)CC4)c2cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc2-3)cc1
InChIInChI=1S/C91H78N2/c1-3-63-23-29-71(30-24-63)77-43-53-89-85(59-77)86-60-78(72-31-25-64(4-2)26-32-72)44-54-90(86)93(89)82-50-52-84-83-51-49-81(92(79-45-39-69(40-46-79)67-19-11-5-12-20-67)80-47-41-70(42-48-80)68-21-13-6-14-22-68)61-87(83)91(88(84)62-82,55-15-7-9-17-65-27-33-73-35-37-75(73)57-65)56-16-8-10-18-66-28-34-74-36-38-76(74)58-66/h3-6,11-14,19-34,39-54,57-62H,1-2,7-10,15-18,35-38,55-56H2
InChIKeyIVJMHCJNFFXYAO-UHFFFAOYSA-N
MW1199.64 g/mol
LogP24.28
Rot. Bonds22

About 9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine

9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 144690360) has the molecular formula C91H78N2 and a molecular weight of 1199.64 g/mol. Its IUPAC name is 9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine
PubChem CID144690360
Molecular FormulaC91H78N2
Molecular Weight1199.64 g/mol
Exact Mass1198.62
IUPAC Name9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESC=Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C=C)cc4)ccc2n3-c2ccc3c(c2)C(CCCCCc2ccc4c(c2)CC4)(CCCCCc2ccc4c(c2)CC4)c2cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc2-3)cc1
InChIInChI=1S/C91H78N2/c1-3-63-23-29-71(30-24-63)77-43-53-89-85(59-77)86-60-78(72-31-25-64(4-2)26-32-72)44-54-90(86)93(89)82-50-52-84-83-51-49-81(92(79-45-39-69(40-46-79)67-19-11-5-12-20-67)80-47-41-70(42-48-80)68-21-13-6-14-22-68)61-87(83)91(88(84)62-82,55-15-7-9-17-65-27-33-73-35-37-75(73)57-65)56-16-8-10-18-66-28-34-74-36-38-76(74)58-66/h3-6,11-14,19-34,39-54,57-62H,1-2,7-10,15-18,35-38,55-56H2
InChIKeyIVJMHCJNFFXYAO-UHFFFAOYSA-N
XLogP24.28
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001199.64
LogP ≤ 524.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 144690426
7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine
CID 144690392
7-carbazol-9-yl-9,9-bis[(4-ethenylphenyl)methyl]-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 144690386
N-[4-[6-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]carbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N,9-diphenylfluoren-2-amine
CID 155015333
4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 159196354
9,9-bis[4-(3-ethenylphenyl)butyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;2-N,7-N-bis(4-ethenylphenyl)-9,9-dihexyl-2-N,7-N-diphenylfluorene-2,7-diamine;4-ethenyl-N,N-bis(4-ethenylphenyl)aniline;4-ethenyl-N-[4-[4-(N-(4-ethenylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;N-(3-ethenylphenyl)-N-[4-[4-[4-[4-(N-(3-ethenylphenyl)-3-methylanilino)phenyl]phenyl]phenyl]phenyl]-3-methylaniline
CID 162117695
7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 161317422
7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-bis[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144690352
N-[4-(9,9-didodecyl-7-methylfluoren-2-yl)phenyl]-N-[4-[9-[3-[4-(4-hexylphenyl)phenyl]phenyl]carbazol-3-yl]phenyl]-4-methylaniline
CID 170261213
N-[4-[9-(4-ethenylphenyl)-6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142340184
9,9-dibutyl-N-[4-[9-[4-[[4-[[4-[3-[4-[(9-butyl-9-pentylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]fluoren-2-amine
CID 146369436
N-[4-[3-[4-[8-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)octyl]phenyl]-5-[4-[7-(4-methylphenyl)-9,9-dioctylfluoren-2-yl]phenyl]phenyl]phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 123393911

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine (CID 144690360) is 9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine is C=Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C=C)cc4)ccc2n3-c2ccc3c(c2)C(CCCCCc2ccc4c(c2)CC4)(CCCCCc2ccc4c(c2)CC4)c2cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc2-3)cc1.
What is the InChIKey of 9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The InChIKey is IVJMHCJNFFXYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H78N2/c1-3-63-23-29-71(30-24-63)77-43-53-89-85(59-77)86-60-78(72-31-25-64(4-2)26-32-72)44-54-90(86)93(89)82-50-52-84-83-51-49-81(92(79-45-39-69(40-46-79)67-19-11-5-12-20-67)80-47-41-70(42-48-80)68-21-13-6-14-22-68)61-87(83)91(88(84)62-82,55-15-7-9-17-65-27-33-73-35-37-75(73)57-65)56-16-8-10-18-66-28-34-74-36-38-76(74)58-66/h3-6,11-14,19-34,39-54,57-62H,1-2,7-10,15-18,35-38,55-56H2.
What are the key properties of 9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine?
9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1199.64 g/mol, XLogP of 24.28, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 144690360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).