3-[9,9-bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole

C104H88N2O2 — CID 58620848

IUPAC3-[9,9-bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole
SMILESC=C=C=C=C=C=C=C=C=CC1(C=C=C=C=C=C=C=C=C=C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)C(CCCCCCCCCC)(CCCCCCCCCC)c7ccccc7-8)ccc5n6-c5ccc(OC)cc5)ccc3n4-c3ccc(OC)cc3)cc21
InChIInChI=1S/C104H88N2O2/c1-7-11-15-19-23-27-31-39-67-103(68-40-32-28-24-20-16-12-8-2)95-45-37-35-43-87(95)89-61-47-81(75-97(89)103)79-51-65-101-93(73-79)91-71-77(49-63-99(91)105(101)83-53-57-85(107-5)58-54-83)78-50-64-100-92(72-78)94-74-80(52-66-102(94)106(100)84-55-59-86(108-6)60-56-84)82-48-62-90-88-44-36-38-46-96(88)104(98(90)76-82,69-41-33-29-25-21-17-13-9-3)70-42-34-30-26-22-18-14-10-4/h35-38,43-68,71-76H,1-2,9-10,13-14,17-18,21-22,25-26,29-30,33-34,41-42,69-70H2,3-6H3
InChIKeyAPNNCCDBCLOWNC-UHFFFAOYSA-N
MW1397.86 g/mol
LogP27.35
Rot. Bonds27

About 3-[9,9-bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole

3-[9,9-bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole (PubChem CID 58620848) has the molecular formula C104H88N2O2 and a molecular weight of 1397.86 g/mol. Its IUPAC name is 3-[9,9-bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole.

Molecular Properties

Compound Name3-[9,9-bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole
PubChem CID58620848
Molecular FormulaC104H88N2O2
Molecular Weight1397.86 g/mol
Exact Mass1396.68
IUPAC Name3-[9,9-bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole
SMILESC=C=C=C=C=C=C=C=C=CC1(C=C=C=C=C=C=C=C=C=C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)C(CCCCCCCCCC)(CCCCCCCCCC)c7ccccc7-8)ccc5n6-c5ccc(OC)cc5)ccc3n4-c3ccc(OC)cc3)cc21
InChIInChI=1S/C104H88N2O2/c1-7-11-15-19-23-27-31-39-67-103(68-40-32-28-24-20-16-12-8-2)95-45-37-35-43-87(95)89-61-47-81(75-97(89)103)79-51-65-101-93(73-79)91-71-77(49-63-99(91)105(101)83-53-57-85(107-5)58-54-83)78-50-64-100-92(72-78)94-74-80(52-66-102(94)106(100)84-55-59-86(108-6)60-56-84)82-48-62-90-88-44-36-38-46-96(88)104(98(90)76-82,69-41-33-29-25-21-17-13-9-3)70-42-34-30-26-22-18-14-10-4/h35-38,43-68,71-76H,1-2,9-10,13-14,17-18,21-22,25-26,29-30,33-34,41-42,69-70H2,3-6H3
InChIKeyAPNNCCDBCLOWNC-UHFFFAOYSA-N
XLogP27.35
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001397.86
LogP ≤ 527.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[9,9-bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole with MolForge

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Related Compounds

9-(4-Tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole
CID 53401213
9-[4-(6-methoxynaphthalen-2-yl)-phenyl]-9H-carbazole
CID 58460616
9-Spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole
CID 139052249
3,5-Di(9H-carbazol-9-yl)-N,N-bis(4-((6-((3-ethyloxetan-3-yl)methoxy)hexyl)oxy)phenyl)aniline
CID 162505705
6,6'-(3-((9,9-dimethyl-9h-fluoren-3-yl)(4-methoxyphenyl)amino)thiophene-2,5-diyl)bis(N-(9,9-dimethyl-9h-fluoren-2-yl)-N,9-bis(4-methoxyphenyl)-9h-carbazol-3-amine)
CID 164853834
9-(4-Methoxyphenyl)-3-[2-(4-methoxyphenyl)ethenyl]-9H-carbazole
CID 54402774
N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine
CID 90164118
N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
CID 90306209
9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 118857180
5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine
CID 121357331
9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
CID 122546733
9-[2-[4-[2-(3,6-Dimethoxycarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole
CID 124173938

Frequently Asked Questions

What is the IUPAC name of 3-[9,9-bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole?
The IUPAC name of 3-[9,9-bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole (CID 58620848) is 3-[9,9-bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole.
What is the SMILES notation for 3-[9,9-bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole?
The canonical SMILES for 3-[9,9-bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole is C=C=C=C=C=C=C=C=C=CC1(C=C=C=C=C=C=C=C=C=C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)C(CCCCCCCCCC)(CCCCCCCCCC)c7ccccc7-8)ccc5n6-c5ccc(OC)cc5)ccc3n4-c3ccc(OC)cc3)cc21.
What is the InChIKey of 3-[9,9-bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole?
The InChIKey is APNNCCDBCLOWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H88N2O2/c1-7-11-15-19-23-27-31-39-67-103(68-40-32-28-24-20-16-12-8-2)95-45-37-35-43-87(95)89-61-47-81(75-97(89)103)79-51-65-101-93(73-79)91-71-77(49-63-99(91)105(101)83-53-57-85(107-5)58-54-83)78-50-64-100-92(72-78)94-74-80(52-66-102(94)106(100)84-55-59-86(108-6)60-56-84)82-48-62-90-88-44-36-38-46-96(88)104(98(90)76-82,69-41-33-29-25-21-17-13-9-3)70-42-34-30-26-22-18-14-10-4/h35-38,43-68,71-76H,1-2,9-10,13-14,17-18,21-22,25-26,29-30,33-34,41-42,69-70H2,3-6H3.
What are the key properties of 3-[9,9-bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole?
3-[9,9-bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole has a molecular weight of 1397.86 g/mol, XLogP of 27.35, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9,9-bis(deca-1,2,3,4,5,6,7,8,9-nonaenyl)fluoren-2-yl]-6-[6-(9,9-didecylfluoren-2-yl)-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole is sourced from PubChem (CID 58620848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).