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

C57H64N2 — CID 101417664

IUPAC9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc4c(c3)c3ccccc3n4CC)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4CC)cc21
InChIInChI=1S/C57H64N2/c1-7-13-19-39(9-3)37-57(38-40(10-4)20-14-8-2)51-35-43(41-27-31-55-49(33-41)47-21-15-17-23-53(47)58(55)11-5)25-29-45(51)46-30-26-44(36-52(46)57)42-28-32-56-50(34-42)48-22-16-18-24-54(48)59(56)12-6/h15-18,21-36,39-40H,7-14,19-20,37-38H2,1-6H3
InChIKeyNRMSFJNNMXVOSP-UHFFFAOYSA-N
MW777.15 g/mol
LogP16.76
Rot. Bonds16

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

9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole (PubChem CID 101417664) has the molecular formula C57H64N2 and a molecular weight of 777.15 g/mol. Its IUPAC name is 9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole
PubChem CID101417664
Molecular FormulaC57H64N2
Molecular Weight777.15 g/mol
Exact Mass776.51
IUPAC Name9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc4c(c3)c3ccccc3n4CC)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4CC)cc21
InChIInChI=1S/C57H64N2/c1-7-13-19-39(9-3)37-57(38-40(10-4)20-14-8-2)51-35-43(41-27-31-55-49(33-41)47-21-15-17-23-53(47)58(55)11-5)25-29-45(51)46-30-26-44(36-52(46)57)42-28-32-56-50(34-42)48-22-16-18-24-54(48)59(56)12-6/h15-18,21-36,39-40H,7-14,19-20,37-38H2,1-6H3
InChIKeyNRMSFJNNMXVOSP-UHFFFAOYSA-N
XLogP16.76
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.15
LogP ≤ 516.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene
CID 101111092
9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene
CID 101402218
2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene
CID 86093242
[4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone
CID 71131328
3,6-bis(9-butylcarbazol-3-yl)-9-(2-ethylhexyl)carbazole
CID 102226013
1-[2-(9-benzylcarbazol-3-yl)-7-(9-ethylcarbazol-3-yl)-9-octylfluoren-9-yl]pentane-2,4-diol
CID 140691925
2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene
CID 101479734
2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene
CID 101479733
3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 122376268
2-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]-7-methylfluoren-9-one
CID 20751967
9-benzyl-3-[7'-(9-benzylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;3-[7'-(9-benzylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethylcarbazole;3-[7'-(9-ethylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-methylcarbazole;9-ethyl-3-[7'-(9-ethylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 157304765
2,4,6-tris[4-[(E)-2-[9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,5-triazine
CID 102358497

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole?
The IUPAC name of 9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole (CID 101417664) is 9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole.
What is the SMILES notation for 9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole?
The canonical SMILES for 9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole is CCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc4c(c3)c3ccccc3n4CC)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4CC)cc21.
What is the InChIKey of 9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole?
The InChIKey is NRMSFJNNMXVOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H64N2/c1-7-13-19-39(9-3)37-57(38-40(10-4)20-14-8-2)51-35-43(41-27-31-55-49(33-41)47-21-15-17-23-53(47)58(55)11-5)25-29-45(51)46-30-26-44(36-52(46)57)42-28-32-56-50(34-42)48-22-16-18-24-54(48)59(56)12-6/h15-18,21-36,39-40H,7-14,19-20,37-38H2,1-6H3.
What are the key properties of 9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole?
9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole has a molecular weight of 777.15 g/mol, XLogP of 16.76, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole is sourced from PubChem (CID 101417664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).