9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine

C99H104N4 — CID 102039010

IUPAC9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine
SMILESCCCCC1(CCCC)c2cc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)n4-c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCCC)(CCCC)c3cc(-c5ccc6c(c5)C(CCCC)(CCCC)c5cc(N(c7ccccc7)c7ccccc7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C99H104N4/c1-10-16-57-97(58-17-11-2)88-63-72(69-37-39-70(40-38-69)94-100-101-95(103(94)80-35-29-24-30-36-80)71-41-48-77(49-42-71)96(7,8)9)43-51-82(88)83-52-44-73(64-89(83)97)74-45-53-84-85-54-46-75(66-91(85)98(59-18-12-3,60-19-13-4)90(84)65-74)76-47-55-86-87-56-50-81(102(78-31-25-22-26-32-78)79-33-27-23-28-34-79)68-93(87)99(61-20-14-5,62-21-15-6)92(86)67-76/h22-56,63-68H,10-21,57-62H2,1-9H3
InChIKeyNJTIBTCDJVNVIE-UHFFFAOYSA-N
MW1349.95 g/mol
LogP28.31
Rot. Bonds27

About 9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine

9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine (PubChem CID 102039010) has the molecular formula C99H104N4 and a molecular weight of 1349.95 g/mol. Its IUPAC name is 9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine
PubChem CID102039010
Molecular FormulaC99H104N4
Molecular Weight1349.95 g/mol
Exact Mass1348.83
IUPAC Name9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine
SMILESCCCCC1(CCCC)c2cc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)n4-c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCCC)(CCCC)c3cc(-c5ccc6c(c5)C(CCCC)(CCCC)c5cc(N(c7ccccc7)c7ccccc7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C99H104N4/c1-10-16-57-97(58-17-11-2)88-63-72(69-37-39-70(40-38-69)94-100-101-95(103(94)80-35-29-24-30-36-80)71-41-48-77(49-42-71)96(7,8)9)43-51-82(88)83-52-44-73(64-89(83)97)74-45-53-84-85-54-46-75(66-91(85)98(59-18-12-3,60-19-13-4)90(84)65-74)76-47-55-86-87-56-50-81(102(78-31-25-22-26-32-78)79-33-27-23-28-34-79)68-93(87)99(61-20-14-5,62-21-15-6)92(86)67-76/h22-56,63-68H,10-21,57-62H2,1-9H3
InChIKeyNJTIBTCDJVNVIE-UHFFFAOYSA-N
XLogP28.31
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001349.95
LogP ≤ 528.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine with MolForge

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Related Compounds

3-(4-tert-butylphenyl)-5-[4-[7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-4-phenyl-1,2,4-triazole
CID 101482227
3-(4-tert-butylphenyl)-5-[3-[9,9-dibutyl-7-(9,9-dibutyl-7-iodofluoren-2-yl)fluoren-2-yl]phenyl]-4-phenyl-1,2,4-triazole
CID 101412676
7-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
CID 102597851
N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59404152
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
CID 71228215
9,9-dioctyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]fluorene-2,7-diamine
CID 59566452
2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine
CID 57384197
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066
4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 159196354
N-[4-(6,7-dimethyl-9,9-dioctylfluoren-2-yl)phenyl]-4-methyl-N-[4-[9-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-2-yl]phenyl]aniline
CID 177287476
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804

Frequently Asked Questions

What is the IUPAC name of 9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine?
The IUPAC name of 9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine (CID 102039010) is 9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine is CCCCC1(CCCC)c2cc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)n4-c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCCC)(CCCC)c3cc(-c5ccc6c(c5)C(CCCC)(CCCC)c5cc(N(c7ccccc7)c7ccccc7)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine?
The InChIKey is NJTIBTCDJVNVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H104N4/c1-10-16-57-97(58-17-11-2)88-63-72(69-37-39-70(40-38-69)94-100-101-95(103(94)80-35-29-24-30-36-80)71-41-48-77(49-42-71)96(7,8)9)43-51-82(88)83-52-44-73(64-89(83)97)74-45-53-84-85-54-46-75(66-91(85)98(59-18-12-3,60-19-13-4)90(84)65-74)76-47-55-86-87-56-50-81(102(78-31-25-22-26-32-78)79-33-27-23-28-34-79)68-93(87)99(61-20-14-5,62-21-15-6)92(86)67-76/h22-56,63-68H,10-21,57-62H2,1-9H3.
What are the key properties of 9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine?
9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine has a molecular weight of 1349.95 g/mol, XLogP of 28.31, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 102039010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).