2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene

C143H126 — CID 59245631

IUPAC2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene
SMILESCC(C)CCC1(CCC(C)C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc3-4)cc2-c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc3-4)cc21
InChIInChI=1S/C143H126/c1-81(2)61-63-143(64-62-82(3)4)133-79-109(93-43-55-105-101-51-39-89(71-127(101)141(17,18)131(105)75-93)85-47-59-123-113(67-85)97-31-23-27-35-119(97)137(123,9)10)107(91-41-53-103-99-49-37-87(69-125(99)139(13,14)129(103)73-91)83-45-57-121-111(65-83)95-29-21-25-33-117(95)135(121,5)6)77-115(133)116-78-108(92-42-54-104-100-50-38-88(70-126(100)140(15,16)130(104)74-92)84-46-58-122-112(66-84)96-30-22-26-34-118(96)136(122,7)8)110(80-134(116)143)94-44-56-106-102-52-40-90(72-128(102)142(19,20)132(106)76-94)86-48-60-124-114(68-86)98-32-24-28-36-120(98)138(124,11)12/h21-60,65-82H,61-64H2,1-20H3
InChIKeyPIXQCMACVCHEPF-UHFFFAOYSA-N
MW1844.58 g/mol
LogP38.61
Rot. Bonds14

About 2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene

2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene (PubChem CID 59245631) has the molecular formula C143H126 and a molecular weight of 1844.58 g/mol. Its IUPAC name is 2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene.

Molecular Properties

Compound Name2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene
PubChem CID59245631
Molecular FormulaC143H126
Molecular Weight1844.58 g/mol
Exact Mass1842.99
IUPAC Name2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene
SMILESCC(C)CCC1(CCC(C)C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc3-4)cc2-c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc3-4)cc21
InChIInChI=1S/C143H126/c1-81(2)61-63-143(64-62-82(3)4)133-79-109(93-43-55-105-101-51-39-89(71-127(101)141(17,18)131(105)75-93)85-47-59-123-113(67-85)97-31-23-27-35-119(97)137(123,9)10)107(91-41-53-103-99-49-37-87(69-125(99)139(13,14)129(103)73-91)83-45-57-121-111(65-83)95-29-21-25-33-117(95)135(121,5)6)77-115(133)116-78-108(92-42-54-104-100-50-38-88(70-126(100)140(15,16)130(104)74-92)84-46-58-122-112(66-84)96-30-22-26-34-118(96)136(122,7)8)110(80-134(116)143)94-44-56-106-102-52-40-90(72-128(102)142(19,20)132(106)76-94)86-48-60-124-114(68-86)98-32-24-28-36-120(98)138(124,11)12/h21-60,65-82H,61-64H2,1-20H3
InChIKeyPIXQCMACVCHEPF-UHFFFAOYSA-N
XLogP38.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001844.58
LogP ≤ 538.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene
CID 59245629
9,9-dimethyl-N,N-diphenyl-7-[3,6,7-tris(9,9-dimethylfluoren-2-yl)-9,9-bis(3-methylbutyl)fluoren-2-yl]fluoren-2-amine
CID 89223325
7-[7-[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)-N,N-diphenylfluoren-2-amine
CID 59348481
2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene
CID 162186424
CID 89223321
CID 89223321
2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene
CID 59801302
2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 160707659
2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939612
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
7-[7-[7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)-N,N-diphenylfluoren-2-amine
CID 59348451
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene?
The IUPAC name of 2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene (CID 59245631) is 2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene.
What is the SMILES notation for 2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene?
The canonical SMILES for 2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene is CC(C)CCC1(CCC(C)C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc3-4)cc2-c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc3-4)cc21.
What is the InChIKey of 2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene?
The InChIKey is PIXQCMACVCHEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C143H126/c1-81(2)61-63-143(64-62-82(3)4)133-79-109(93-43-55-105-101-51-39-89(71-127(101)141(17,18)131(105)75-93)85-47-59-123-113(67-85)97-31-23-27-35-119(97)137(123,9)10)107(91-41-53-103-99-49-37-87(69-125(99)139(13,14)129(103)73-91)83-45-57-121-111(65-83)95-29-21-25-33-117(95)135(121,5)6)77-115(133)116-78-108(92-42-54-104-100-50-38-88(70-126(100)140(15,16)130(104)74-92)84-46-58-122-112(66-84)96-30-22-26-34-118(96)136(122,7)8)110(80-134(116)143)94-44-56-106-102-52-40-90(72-128(102)142(19,20)132(106)76-94)86-48-60-124-114(68-86)98-32-24-28-36-120(98)138(124,11)12/h21-60,65-82H,61-64H2,1-20H3.
What are the key properties of 2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene?
2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene has a molecular weight of 1844.58 g/mol, XLogP of 38.61, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene is sourced from PubChem (CID 59245631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).