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

C61H45N — CID 89066747

IUPAC9-[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
SMILESCCC1(CC)c2cc(/C=C/c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5ccccc54)c4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C61H45N/c1-3-61(4-2)55-35-38(26-31-45(55)46-34-30-41(37-56(46)61)62-57-23-13-11-17-47(57)48-18-12-14-24-58(48)62)25-27-39-28-32-43(44-16-6-5-15-42(39)44)40-29-33-53-54(36-40)60-51-21-9-7-19-49(51)59(53)50-20-8-10-22-52(50)60/h5-37,59-60H,3-4H2,1-2H3/b27-25+
InChIKeySPFNAJFZAGAVQZ-IMVLJIQESA-N
MW792.04 g/mol
LogP15.85
Rot. Bonds6

About 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

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 (PubChem CID 89066747) has the molecular formula C61H45N and a molecular weight of 792.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID89066747
Molecular FormulaC61H45N
Molecular Weight792.04 g/mol
Exact Mass791.36
IUPAC Name9-[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
SMILESCCC1(CC)c2cc(/C=C/c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5ccccc54)c4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C61H45N/c1-3-61(4-2)55-35-38(26-31-45(55)46-34-30-41(37-56(46)61)62-57-23-13-11-17-47(57)48-18-12-14-24-58(48)62)25-27-39-28-32-43(44-16-6-5-15-42(39)44)40-29-33-53-54(36-40)60-51-21-9-7-19-49(51)59(53)50-20-8-10-22-52(50)60/h5-37,59-60H,3-4H2,1-2H3/b27-25+
InChIKeySPFNAJFZAGAVQZ-IMVLJIQESA-N
XLogP15.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.04
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole
CID 59236161
9-(3,5-dimethylphenyl)-3-[4-[(E)-2-[7-[(E)-2-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]carbazole
CID 59236462
9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole
CID 89075112
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
9,9-diethyl-N,N-diphenyl-7-[2-[4-(4-tritylphenyl)naphthalen-1-yl]ethenyl]fluoren-2-amine
CID 91405868
3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole
CID 59236389
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(4-tritylphenyl)naphthalen-1-yl]ethenyl]fluoren-2-amine
CID 89074836
CID 89067260
CID 89067260
9,9-diethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 147008099
9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole
CID 123223191
3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
CID 59221286
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1(CC)c2cc(/C=C/c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5ccccc54)c4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 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?
The InChIKey is SPFNAJFZAGAVQZ-IMVLJIQESA-N. The full InChI is InChI=1S/C61H45N/c1-3-61(4-2)55-35-38(26-31-45(55)46-34-30-41(37-56(46)61)62-57-23-13-11-17-47(57)48-18-12-14-24-58(48)62)25-27-39-28-32-43(44-16-6-5-15-42(39)44)40-29-33-53-54(36-40)60-51-21-9-7-19-49(51)59(53)50-20-8-10-22-52(50)60/h5-37,59-60H,3-4H2,1-2H3/b27-25+.
What are the key properties of 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?
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 has a molecular weight of 792.04 g/mol, XLogP of 15.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89066747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).