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

C138H168N6 — CID 132570017

IUPAC9-[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
SMILESCCCCCCC1(CCCCCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc4-5)nc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc4-5)n3)ccc2-c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21
InChIInChI=1S/C138H168N6/c1-25-31-37-43-73-136(74-44-38-32-26-2)115-79-91(49-61-103(115)106-64-58-100(88-118(106)136)142-121-67-52-94(130(7,8)9)82-109(121)110-83-95(131(10,11)12)53-68-122(110)142)127-139-128(92-50-62-104-107-65-59-101(89-119(107)137(116(104)80-92,75-45-39-33-27-3)76-46-40-34-28-4)143-123-69-54-96(132(13,14)15)84-111(123)112-85-97(133(16,17)18)55-70-124(112)143)141-129(140-127)93-51-63-105-108-66-60-102(90-120(108)138(117(105)81-93,77-47-41-35-29-5)78-48-42-36-30-6)144-125-71-56-98(134(19,20)21)86-113(125)114-87-99(135(22,23)24)57-72-126(114)144/h49-72,79-90H,25-48,73-78H2,1-24H3
InChIKeyABDSRKGFUKUVGI-UHFFFAOYSA-N
MW1910.90 g/mol
LogP40.57
Rot. Bonds36

About 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

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 (PubChem CID 132570017) has the molecular formula C138H168N6 and a molecular weight of 1910.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID132570017
Molecular FormulaC138H168N6
Molecular Weight1910.90 g/mol
Exact Mass1909.33
IUPAC Name9-[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
SMILESCCCCCCC1(CCCCCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc4-5)nc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc4-5)n3)ccc2-c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21
InChIInChI=1S/C138H168N6/c1-25-31-37-43-73-136(74-44-38-32-26-2)115-79-91(49-61-103(115)106-64-58-100(88-118(106)136)142-121-67-52-94(130(7,8)9)82-109(121)110-83-95(131(10,11)12)53-68-122(110)142)127-139-128(92-50-62-104-107-65-59-101(89-119(107)137(116(104)80-92,75-45-39-33-27-3)76-46-40-34-28-4)143-123-69-54-96(132(13,14)15)84-111(123)112-85-97(133(16,17)18)55-70-124(112)143)141-129(140-127)93-51-63-105-108-66-60-102(90-120(108)138(117(105)81-93,77-47-41-35-29-5)78-48-42-36-30-6)144-125-71-56-98(134(19,20)21)86-113(125)114-87-99(135(22,23)24)57-72-126(114)144/h49-72,79-90H,25-48,73-78H2,1-24H3
InChIKeyABDSRKGFUKUVGI-UHFFFAOYSA-N
XLogP40.57
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds36
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001910.90
LogP ≤ 540.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
(E)-2-cyano-3-[5-[5-[5-[7-(3,6-ditert-butylcarbazol-9-yl)-9,9-dihexylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid
CID 102104590
3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 59404178
2-[7-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-9,9-dihexylfluoren-2-yl]-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 142638991
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole
CID 118345900
7-carbazol-9-yl-9,9-dihexylfluoren-2-amine
CID 144690373
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
9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 67678311
7-carbazol-9-yl-9,9-dihexylfluoren-2-amine;ethane
CID 144690372
4-(3,5-ditert-butylphenyl)-2-(9,9-dihexylfluoren-2-yl)-6-phenylpyridine
CID 102582736
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCC1(CCCCCC)c2cc(-c3nc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc4-5)nc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc4-5)n3)ccc2-c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21.
What is the InChIKey of 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?
The InChIKey is ABDSRKGFUKUVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C138H168N6/c1-25-31-37-43-73-136(74-44-38-32-26-2)115-79-91(49-61-103(115)106-64-58-100(88-118(106)136)142-121-67-52-94(130(7,8)9)82-109(121)110-83-95(131(10,11)12)53-68-122(110)142)127-139-128(92-50-62-104-107-65-59-101(89-119(107)137(116(104)80-92,75-45-39-33-27-3)76-46-40-34-28-4)143-123-69-54-96(132(13,14)15)84-111(123)112-85-97(133(16,17)18)55-70-124(112)143)141-129(140-127)93-51-63-105-108-66-60-102(90-120(108)138(117(105)81-93,77-47-41-35-29-5)78-48-42-36-30-6)144-125-71-56-98(134(19,20)21)86-113(125)114-87-99(135(22,23)24)57-72-126(114)144/h49-72,79-90H,25-48,73-78H2,1-24H3.
What are the key properties of 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?
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 has a molecular weight of 1910.90 g/mol, XLogP of 40.57, 36 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 132570017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).