9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole

C66H50N2 — CID 89075112

IUPAC9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole
SMILESCCC1(CC)c2cc(/C=C/c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cn3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C66H50N2/c1-3-66(4-2)59-41-45(34-39-53(59)54-40-38-52(42-60(54)66)68-61-31-19-17-29-55(61)56-30-18-20-32-62(56)68)33-36-51-37-35-50(44-67-51)58-43-57(46-21-9-5-10-22-46)63(47-23-11-6-12-24-47)65(49-27-15-8-16-28-49)64(58)48-25-13-7-14-26-48/h5-44H,3-4H2,1-2H3/b36-33+
InChIKeyCRDPEQAOLYAQOY-PKUSAGTQSA-N
MW871.14 g/mol
LogP17.77
Rot. Bonds10

About 9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole

9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole (PubChem CID 89075112) has the molecular formula C66H50N2 and a molecular weight of 871.14 g/mol. Its IUPAC name is 9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole.

Molecular Properties

Compound Name9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole
PubChem CID89075112
Molecular FormulaC66H50N2
Molecular Weight871.14 g/mol
Exact Mass870.40
IUPAC Name9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole
SMILESCCC1(CC)c2cc(/C=C/c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cn3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C66H50N2/c1-3-66(4-2)59-41-45(34-39-53(59)54-40-38-52(42-60(54)66)68-61-31-19-17-29-55(61)56-30-18-20-32-62(56)68)33-36-51-37-35-50(44-67-51)58-43-57(46-21-9-5-10-22-46)63(47-23-11-6-12-24-47)65(49-27-15-8-16-28-49)64(58)48-25-13-7-14-26-48/h5-44H,3-4H2,1-2H3/b36-33+
InChIKeyCRDPEQAOLYAQOY-PKUSAGTQSA-N
XLogP17.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.14
LogP ≤ 517.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[9,9-diethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)naphthalen-1-yl]ethenyl]fluoren-2-yl]carbazole
CID 89066747
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole
CID 160899011
9-[4-[(E)-2-[7-[7-[7-[7-[7-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]ethenyl]phenyl]carbazole
CID 164784808
3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
CID 59221286
9-[6-[2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]-3-pyridinyl]carbazole
CID 123416402
3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 59221309
9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole
CID 59236285
9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole
CID 123223191
7-carbazol-9-yl-9,9-bis[(4-ethenylphenyl)methyl]-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 144690386
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
CID 20822281
9-naphthalen-2-yl-3-[4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]indeno[1,2-b]fluoren-8-yl]ethenyl]phenyl]carbazole
CID 59236365
3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole
CID 59236662

Frequently Asked Questions

What is the IUPAC name of 9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole?
The IUPAC name of 9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole (CID 89075112) is 9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole.
What is the SMILES notation for 9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole?
The canonical SMILES for 9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole is CCC1(CC)c2cc(/C=C/c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cn3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole?
The InChIKey is CRDPEQAOLYAQOY-PKUSAGTQSA-N. The full InChI is InChI=1S/C66H50N2/c1-3-66(4-2)59-41-45(34-39-53(59)54-40-38-52(42-60(54)66)68-61-31-19-17-29-55(61)56-30-18-20-32-62(56)68)33-36-51-37-35-50(44-67-51)58-43-57(46-21-9-5-10-22-46)63(47-23-11-6-12-24-47)65(49-27-15-8-16-28-49)64(58)48-25-13-7-14-26-48/h5-44H,3-4H2,1-2H3/b36-33+.
What are the key properties of 9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole?
9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole has a molecular weight of 871.14 g/mol, XLogP of 17.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole is sourced from PubChem (CID 89075112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).