9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole

C73H76N2O2 — CID 90708601

IUPAC9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole
SMILESCCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc(C=Cc4ccc5c(c4)c4ccccc4n5CC)ccc3-c3ccc(C=Cc4ccc5c(c4)c4ccccc4n5CC)cc32)cc1
InChIInChI=1S/C73H76N2O2/c1-5-9-11-13-15-21-47-76-59-39-35-57(36-40-59)73(58-37-41-60(42-38-58)77-48-22-16-14-12-10-6-2)67-51-55(29-27-53-33-45-71-65(49-53)63-23-17-19-25-69(63)74(71)7-3)31-43-61(67)62-44-32-56(52-68(62)73)30-28-54-34-46-72-66(50-54)64-24-18-20-26-70(64)75(72)8-4/h17-20,23-46,49-52H,5-16,21-22,47-48H2,1-4H3
InChIKeyNLNRSCZHIBEHPG-UHFFFAOYSA-N
MW1013.42 g/mol
LogP20.12
Rot. Bonds24

About 9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole

9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole (PubChem CID 90708601) has the molecular formula C73H76N2O2 and a molecular weight of 1013.42 g/mol. Its IUPAC name is 9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole
PubChem CID90708601
Molecular FormulaC73H76N2O2
Molecular Weight1013.42 g/mol
Exact Mass1012.59
IUPAC Name9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole
SMILESCCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc(C=Cc4ccc5c(c4)c4ccccc4n5CC)ccc3-c3ccc(C=Cc4ccc5c(c4)c4ccccc4n5CC)cc32)cc1
InChIInChI=1S/C73H76N2O2/c1-5-9-11-13-15-21-47-76-59-39-35-57(36-40-59)73(58-37-41-60(42-38-58)77-48-22-16-14-12-10-6-2)67-51-55(29-27-53-33-45-71-65(49-53)63-23-17-19-25-69(63)74(71)7-3)31-43-61(67)62-44-32-56(52-68(62)73)30-28-54-34-46-72-66(50-54)64-24-18-20-26-70(64)75(72)8-4/h17-20,23-46,49-52H,5-16,21-22,47-48H2,1-4H3
InChIKeyNLNRSCZHIBEHPG-UHFFFAOYSA-N
XLogP20.12
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.42
LogP ≤ 520.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole
CID 59724439
9-ethyl-6-[2-(9-heptylcarbazol-3-yl)ethenyl]carbazole-3-carbaldehyde
CID 172869489
4-[2,7-dibromo-9-(4-octoxyphenyl)fluoren-9-yl]benzaldehyde
CID 102308472
9,10-bis[(E)-2-(4-heptoxyphenyl)ethenyl]anthracene
CID 102099512
9-octadecyl-2-octoxycarbazole
CID 15163807
2-octoxy-9-octylcarbazole
CID 15163804
2-dodecoxy-9-dodecylcarbazole
CID 15163810
9-hexyl-2,7-bis[(E)-2-(9-hexylcarbazol-2-yl)ethenyl]carbazole
CID 58937439
9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116
3-[15,15-bis(4-carbazol-9-ylphenyl)-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;3-[15,15-diphenyl-10-(9-phenylcarbazol-3-yl)-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]-9-phenylcarbazole;9-ethyl-3-[10-(9-ethylcarbazol-3-yl)-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]carbazole;9-ethyl-3-[(E)-2-[10-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]ethenyl]carbazole
CID 159239519
9,9-bis(4-hexoxyphenyl)-2,7-dimethylfluorene;1,4-dihexyl-2,5-dimethylbenzene
CID 161408851
1,2-bis[2-(4-pentadecoxyphenyl)ethenyl]benzene
CID 141172916

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole?
The IUPAC name of 9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole (CID 90708601) is 9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole?
The canonical SMILES for 9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole is CCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc(C=Cc4ccc5c(c4)c4ccccc4n5CC)ccc3-c3ccc(C=Cc4ccc5c(c4)c4ccccc4n5CC)cc32)cc1.
What is the InChIKey of 9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole?
The InChIKey is NLNRSCZHIBEHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H76N2O2/c1-5-9-11-13-15-21-47-76-59-39-35-57(36-40-59)73(58-37-41-60(42-38-58)77-48-22-16-14-12-10-6-2)67-51-55(29-27-53-33-45-71-65(49-53)63-23-17-19-25-69(63)74(71)7-3)31-43-61(67)62-44-32-56(52-68(62)73)30-28-54-34-46-72-66(50-54)64-24-18-20-26-70(64)75(72)8-4/h17-20,23-46,49-52H,5-16,21-22,47-48H2,1-4H3.
What are the key properties of 9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole?
9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole has a molecular weight of 1013.42 g/mol, XLogP of 20.12, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole is sourced from PubChem (CID 90708601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).