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

C95H87N — CID 89223325

IUPAC9,9-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
SMILESCC(C)CCC1(CCC(C)C)c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2-c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C95H87N/c1-58(2)45-47-95(48-46-59(3)4)89-56-77(62-37-42-72-69-31-21-24-34-83(69)93(9,10)86(72)51-62)75(60-35-40-70-67-29-19-22-32-81(67)91(5,6)84(70)49-60)54-79(89)80-55-76(61-36-41-71-68-30-20-23-33-82(68)92(7,8)85(71)50-61)78(57-90(80)95)63-38-43-73-74-44-39-66(53-88(74)94(11,12)87(73)52-63)96(64-25-15-13-16-26-64)65-27-17-14-18-28-65/h13-44,49-59H,45-48H2,1-12H3
InChIKeyTYVKMCPSLVYMCK-UHFFFAOYSA-N
MW1242.75 g/mol
LogP26.19
Rot. Bonds13

About 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

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 (PubChem CID 89223325) has the molecular formula C95H87N and a molecular weight of 1242.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-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
PubChem CID89223325
Molecular FormulaC95H87N
Molecular Weight1242.75 g/mol
Exact Mass1241.68
IUPAC Name9,9-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
SMILESCC(C)CCC1(CCC(C)C)c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2-c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C95H87N/c1-58(2)45-47-95(48-46-59(3)4)89-56-77(62-37-42-72-69-31-21-24-34-83(69)93(9,10)86(72)51-62)75(60-35-40-70-67-29-19-22-32-81(67)91(5,6)84(70)49-60)54-79(89)80-55-76(61-36-41-71-68-30-20-23-33-82(68)92(7,8)85(71)50-61)78(57-90(80)95)63-38-43-73-74-44-39-66(53-88(74)94(11,12)87(73)52-63)96(64-25-15-13-16-26-64)65-27-17-14-18-28-65/h13-44,49-59H,45-48H2,1-12H3
InChIKeyTYVKMCPSLVYMCK-UHFFFAOYSA-N
XLogP26.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001242.75
LogP ≤ 526.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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
2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene
CID 59245631
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
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
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
bis(2,4,6-trimethylphenyl)-[4-[2,6,7-tris[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-bis(3-methylbutyl)fluoren-3-yl]phenyl]borane;9,9-diethyl-2,3,6,7-tetrakis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]fluorene;4-[9,9-diethyl-2,6,7-tris[4-(N-phenylanilino)phenyl]fluoren-3-yl]-N,N-diphenylaniline;2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene
CID 159220456
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-[3-[10-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169284348
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-[4-[3-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177084420

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CCC1(CCC(C)C)c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2-c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc21.
What is the InChIKey of 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?
The InChIKey is TYVKMCPSLVYMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H87N/c1-58(2)45-47-95(48-46-59(3)4)89-56-77(62-37-42-72-69-31-21-24-34-83(69)93(9,10)86(72)51-62)75(60-35-40-70-67-29-19-22-32-81(67)91(5,6)84(70)49-60)54-79(89)80-55-76(61-36-41-71-68-30-20-23-33-82(68)92(7,8)85(71)50-61)78(57-90(80)95)63-38-43-73-74-44-39-66(53-88(74)94(11,12)87(73)52-63)96(64-25-15-13-16-26-64)65-27-17-14-18-28-65/h13-44,49-59H,45-48H2,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 1242.75 g/mol, XLogP of 26.19, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89223325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).