3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole

C85H104N2O2 — CID 59724439

IUPAC3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole
SMILESCCCCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCCCC)cc3)c3cc(-c4ccc5c(c4)c4ccccc4n5CCCCCCCC)ccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5CCCCCCCC)cc32)cc1
InChIInChI=1S/C85H104N2O2/c1-5-9-13-17-21-23-27-35-59-88-71-49-45-69(46-50-71)85(70-47-51-72(52-48-70)89-60-36-28-24-22-18-14-10-6-2)79-63-67(65-43-55-83-77(61-65)75-37-29-31-39-81(75)86(83)57-33-25-19-15-11-7-3)41-53-73(79)74-54-42-68(64-80(74)85)66-44-56-84-78(62-66)76-38-30-32-40-82(76)87(84)58-34-26-20-16-12-8-4/h29-32,37-56,61-64H,5-28,33-36,57-60H2,1-4H3
InChIKeyOCNSVAKTXLRPCK-UHFFFAOYSA-N
MW1185.78 g/mol
LogP25.36
Rot. Bonds38

About 3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole

3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole (PubChem CID 59724439) has the molecular formula C85H104N2O2 and a molecular weight of 1185.78 g/mol. Its IUPAC name is 3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole.

Molecular Properties

Compound Name3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole
PubChem CID59724439
Molecular FormulaC85H104N2O2
Molecular Weight1185.78 g/mol
Exact Mass1184.81
IUPAC Name3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole
SMILESCCCCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCCCC)cc3)c3cc(-c4ccc5c(c4)c4ccccc4n5CCCCCCCC)ccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5CCCCCCCC)cc32)cc1
InChIInChI=1S/C85H104N2O2/c1-5-9-13-17-21-23-27-35-59-88-71-49-45-69(46-50-71)85(70-47-51-72(52-48-70)89-60-36-28-24-22-18-14-10-6-2)79-63-67(65-43-55-83-77(61-65)75-37-29-31-39-81(75)86(83)57-33-25-19-15-11-7-3)41-53-73(79)74-54-42-68(64-80(74)85)66-44-56-84-78(62-66)76-38-30-32-40-82(76)87(84)58-34-26-20-16-12-8-4/h29-32,37-56,61-64H,5-28,33-36,57-60H2,1-4H3
InChIKeyOCNSVAKTXLRPCK-UHFFFAOYSA-N
XLogP25.36
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds38
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001185.78
LogP ≤ 525.36
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(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole with MolForge

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Related Compounds

9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole
CID 90708601
2-dodecoxy-9-dodecylcarbazole
CID 15163810
9-octadecyl-2-octoxycarbazole
CID 15163807
2-octoxy-9-octylcarbazole
CID 15163804
N,N-dimethyl-2-(9-octylcarbazol-2-yl)oxyethanamine
CID 56676367
9-octyl-3-[5-(9-octylcarbazol-3-yl)-3-pyridinyl]carbazole
CID 122216627
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
benzene;9-octylcarbazole
CID 175067369
9-octyl-3-[5-[5-[5-(9-octylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole
CID 134391330
1-(4-hexoxyphenyl)-9-methylcarbazole
CID 175494654
3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole
CID 59221341

Frequently Asked Questions

What is the IUPAC name of 3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole?
The IUPAC name of 3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole (CID 59724439) is 3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole.
What is the SMILES notation for 3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole?
The canonical SMILES for 3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole is CCCCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCCCC)cc3)c3cc(-c4ccc5c(c4)c4ccccc4n5CCCCCCCC)ccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5CCCCCCCC)cc32)cc1.
What is the InChIKey of 3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole?
The InChIKey is OCNSVAKTXLRPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H104N2O2/c1-5-9-13-17-21-23-27-35-59-88-71-49-45-69(46-50-71)85(70-47-51-72(52-48-70)89-60-36-28-24-22-18-14-10-6-2)79-63-67(65-43-55-83-77(61-65)75-37-29-31-39-81(75)86(83)57-33-25-19-15-11-7-3)41-53-73(79)74-54-42-68(64-80(74)85)66-44-56-84-78(62-66)76-38-30-32-40-82(76)87(84)58-34-26-20-16-12-8-4/h29-32,37-56,61-64H,5-28,33-36,57-60H2,1-4H3.
What are the key properties of 3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole?
3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole has a molecular weight of 1185.78 g/mol, XLogP of 25.36, 38 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole is sourced from PubChem (CID 59724439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).