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

C99H104N2 — CID 122203380

IUPAC9-[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
SMILESCCCCCCC1(CCCCCC)c2cc(C#Cc3ccc4c(c3)C(CCCC)(CCCC)c3cc(C#Cc5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(-n7c8ccccc8c8ccccc87)ccc5-6)ccc3-4)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C99H104N2/c1-7-13-19-31-61-98(62-32-20-14-8-2)89-67-73(49-55-79(89)81-57-51-75(69-91(81)98)100-93-39-27-23-35-83(93)84-36-24-28-40-94(84)100)45-43-71-47-53-77-78-54-48-72(66-88(78)97(59-17-11-5,60-18-12-6)87(77)65-71)44-46-74-50-56-80-82-58-52-76(101-95-41-29-25-37-85(95)86-38-26-30-42-96(86)101)70-92(82)99(90(80)68-74,63-33-21-15-9-3)64-34-22-16-10-4/h23-30,35-42,47-58,65-70H,7-22,31-34,59-64H2,1-6H3
InChIKeyUPVUDIVQNLFXLJ-UHFFFAOYSA-N
MW1321.93 g/mol
LogP27.74
Rot. Bonds28

About 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

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 (PubChem CID 122203380) has the molecular formula C99H104N2 and a molecular weight of 1321.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID122203380
Molecular FormulaC99H104N2
Molecular Weight1321.93 g/mol
Exact Mass1320.82
IUPAC Name9-[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
SMILESCCCCCCC1(CCCCCC)c2cc(C#Cc3ccc4c(c3)C(CCCC)(CCCC)c3cc(C#Cc5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(-n7c8ccccc8c8ccccc87)ccc5-6)ccc3-4)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C99H104N2/c1-7-13-19-31-61-98(62-32-20-14-8-2)89-67-73(49-55-79(89)81-57-51-75(69-91(81)98)100-93-39-27-23-35-83(93)84-36-24-28-40-94(84)100)45-43-71-47-53-77-78-54-48-72(66-88(78)97(59-17-11-5,60-18-12-6)87(77)65-71)44-46-74-50-56-80-82-58-52-76(101-95-41-29-25-37-85(95)86-38-26-30-42-96(86)101)70-92(82)99(90(80)68-74,63-33-21-15-9-3)64-34-22-16-10-4/h23-30,35-42,47-58,65-70H,7-22,31-34,59-64H2,1-6H3
InChIKeyUPVUDIVQNLFXLJ-UHFFFAOYSA-N
XLogP27.74
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001321.93
LogP ≤ 527.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-carbazol-9-yl-9,9-dihexylfluoren-2-amine
CID 144690373
7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane
CID 144690372
9-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]carbazole
CID 11850072
9-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]-10-[2-[7-[2-[10-[2-[7-(2-anthracen-9-ylethynyl)-9,9-diheptylfluoren-2-yl]ethynyl]anthracen-9-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]anthracene
CID 102318982
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
2,7-bis[2-(4-ethynylphenyl)ethynyl]-9,9-dihexylfluorene
CID 101259666
2-(9,9-dihexadecylfluoren-2-yl)ethynyl-methylmercury
CID 177426764
2-(4-tert-butylphenyl)-5-[4-[7-(7-carbazol-9-yl-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]-1,3,4-oxadiazole
CID 102451900
9-[4-[(E)-3-[7-[(E)-4-(4-carbazol-9-ylphenyl)-2-methylbut-3-en-2-yl]-9,9-dihexylfluoren-2-yl]-3-methylbut-1-enyl]phenyl]carbazole
CID 167093420
2-ethynyl-9,9-dioctylfluorene
CID 18442166
9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 90085878
1-[2-[7-[2-[7-[2-[9,9-diheptyl-7-(2-pyren-1-ylethynyl)fluoren-2-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]-9,9-diheptylfluoren-2-yl]ethynyl]pyrene
CID 23656651

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCC1(CCCCCC)c2cc(C#Cc3ccc4c(c3)C(CCCC)(CCCC)c3cc(C#Cc5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(-n7c8ccccc8c8ccccc87)ccc5-6)ccc3-4)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 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?
The InChIKey is UPVUDIVQNLFXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H104N2/c1-7-13-19-31-61-98(62-32-20-14-8-2)89-67-73(49-55-79(89)81-57-51-75(69-91(81)98)100-93-39-27-23-35-83(93)84-36-24-28-40-94(84)100)45-43-71-47-53-77-78-54-48-72(66-88(78)97(59-17-11-5,60-18-12-6)87(77)65-71)44-46-74-50-56-80-82-58-52-76(101-95-41-29-25-37-85(95)86-38-26-30-42-96(86)101)70-92(82)99(90(80)68-74,63-33-21-15-9-3)64-34-22-16-10-4/h23-30,35-42,47-58,65-70H,7-22,31-34,59-64H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1321.93 g/mol, XLogP of 27.74, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122203380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).