9-[7-(2,5-dihydrocarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-2,5-dihydrocarbazole

C53H60N2 — CID 135742579

IUPAC9-[7-(2,5-dihydrocarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-2,5-dihydrocarbazole
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-n3c4c(c5c3=CC=CC5)C=CCC=4)ccc2-c2ccc(-n3c4c(c5c3=CC=CC5)C=CCC=4)cc21
InChIInChI=1S/C53H60N2/c1-3-5-7-9-11-21-35-53(36-22-12-10-8-6-4-2)47-37-39(54-49-27-17-13-23-43(49)44-24-14-18-28-50(44)54)31-33-41(47)42-34-32-40(38-48(42)53)55-51-29-19-15-25-45(51)46-26-16-20-30-52(46)55/h13-17,19,24,26-34,37-38H,3-12,18,20-23,25,35-36H2,1-2H3
InChIKeyMQADNLSNXZGHBQ-UHFFFAOYSA-N
MW725.08 g/mol
LogP11.22
Rot. Bonds16

About 9-[7-(2,5-dihydrocarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-2,5-dihydrocarbazole

9-[7-(2,5-dihydrocarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-2,5-dihydrocarbazole (PubChem CID 135742579) has the molecular formula C53H60N2 and a molecular weight of 725.08 g/mol. Its IUPAC name is 9-[7-(2,5-dihydrocarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-2,5-dihydrocarbazole.

Molecular Properties

Compound Name9-[7-(2,5-dihydrocarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-2,5-dihydrocarbazole
PubChem CID135742579
Molecular FormulaC53H60N2
Molecular Weight725.08 g/mol
Exact Mass724.48
IUPAC Name9-[7-(2,5-dihydrocarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-2,5-dihydrocarbazole
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-n3c4c(c5c3=CC=CC5)C=CCC=4)ccc2-c2ccc(-n3c4c(c5c3=CC=CC5)C=CCC=4)cc21
InChIInChI=1S/C53H60N2/c1-3-5-7-9-11-21-35-53(36-22-12-10-8-6-4-2)47-37-39(54-49-27-17-13-23-43(49)44-24-14-18-28-50(44)54)31-33-41(47)42-34-32-40(38-48(42)53)55-51-29-19-15-25-45(51)46-26-16-20-30-52(46)55/h13-17,19,24,26-34,37-38H,3-12,18,20-23,25,35-36H2,1-2H3
InChIKeyMQADNLSNXZGHBQ-UHFFFAOYSA-N
XLogP11.22
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.08
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
7-carbazol-9-yl-9,9-dihexylfluoren-2-amine
CID 144690373
9-[7-[4,6-bis[7-(3,6-ditert-butylcarbazol-9-yl)-9,9-dihexylfluoren-2-yl]-1,3,5-triazin-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-ditert-butylcarbazole
CID 132570017
7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane
CID 144690372
9,9-dihexylfluorene-2,7-dicarboxylic acid
CID 23089428
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913
2-bromo-9,9-dihexylfluorene
CID 18674600
9-[7-[2-[9,9-dibutyl-7-[2-(7-carbazol-9-yl-9,9-dihexylfluoren-2-yl)ethynyl]fluoren-2-yl]ethynyl]-9,9-dihexylfluoren-2-yl]carbazole
CID 122203380
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
CID 102433649

Frequently Asked Questions

What is the IUPAC name of 9-[7-(2,5-dihydrocarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-2,5-dihydrocarbazole?
The IUPAC name of 9-[7-(2,5-dihydrocarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-2,5-dihydrocarbazole (CID 135742579) is 9-[7-(2,5-dihydrocarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-2,5-dihydrocarbazole.
What is the SMILES notation for 9-[7-(2,5-dihydrocarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-2,5-dihydrocarbazole?
The canonical SMILES for 9-[7-(2,5-dihydrocarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-2,5-dihydrocarbazole is CCCCCCCCC1(CCCCCCCC)c2cc(-n3c4c(c5c3=CC=CC5)C=CCC=4)ccc2-c2ccc(-n3c4c(c5c3=CC=CC5)C=CCC=4)cc21.
What is the InChIKey of 9-[7-(2,5-dihydrocarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-2,5-dihydrocarbazole?
The InChIKey is MQADNLSNXZGHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H60N2/c1-3-5-7-9-11-21-35-53(36-22-12-10-8-6-4-2)47-37-39(54-49-27-17-13-23-43(49)44-24-14-18-28-50(44)54)31-33-41(47)42-34-32-40(38-48(42)53)55-51-29-19-15-25-45(51)46-26-16-20-30-52(46)55/h13-17,19,24,26-34,37-38H,3-12,18,20-23,25,35-36H2,1-2H3.
What are the key properties of 9-[7-(2,5-dihydrocarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-2,5-dihydrocarbazole?
9-[7-(2,5-dihydrocarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-2,5-dihydrocarbazole has a molecular weight of 725.08 g/mol, XLogP of 11.22, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(2,5-dihydrocarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-2,5-dihydrocarbazole is sourced from PubChem (CID 135742579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).