6-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]cyclohexa-2,4-dien-1-yl]-1-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-1-N,6-N-diphenyl-3a,10b-dihydropyrene-1,6-diamine

C116H96N2 — CID 138667160

IUPAC6-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]cyclohexa-2,4-dien-1-yl]-1-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-1-N,6-N-diphenyl-3a,10b-dihydropyrene-1,6-diamine
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc2-3)cc(C)c1C1=CCC(N(c2ccccc2)c2ccc3c4c2C=CC2C=CC(N(c5ccccc5)c5ccc(-c6c(C)cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7-8)cc6C)cc5)=C(C=C3)C42)C=C1
InChIInChI=1S/C116H96N2/c1-69-59-83(81-41-53-95-93-51-39-79(65-103(93)115(9,10)105(95)67-81)77-37-49-91-89-27-19-21-29-99(89)113(5,6)101(91)63-77)60-70(2)109(69)73-31-45-87(46-32-73)117(85-23-15-13-16-24-85)107-57-43-75-36-56-98-108(58-44-76-35-55-97(107)111(75)112(76)98)118(86-25-17-14-18-26-86)88-47-33-74(34-48-88)110-71(3)61-84(62-72(110)4)82-42-54-96-94-52-40-80(66-104(94)116(11,12)106(96)68-82)78-38-50-92-90-28-20-22-30-100(90)114(7,8)102(92)64-78/h13-47,49-68,75,88,111H,48H2,1-12H3
InChIKeySEXMSHFUKJHTRW-UHFFFAOYSA-N
MW1518.06 g/mol
LogP30.45
Rot. Bonds12

About 6-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]cyclohexa-2,4-dien-1-yl]-1-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-1-N,6-N-diphenyl-3a,10b-dihydropyrene-1,6-diamine

6-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]cyclohexa-2,4-dien-1-yl]-1-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-1-N,6-N-diphenyl-3a,10b-dihydropyrene-1,6-diamine (PubChem CID 138667160) has the molecular formula C116H96N2 and a molecular weight of 1518.06 g/mol. Its IUPAC name is 6-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]cyclohexa-2,4-dien-1-yl]-1-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-1-N,6-N-diphenyl-3a,10b-dihydropyrene-1,6-diamine.

Molecular Properties

Compound Name6-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]cyclohexa-2,4-dien-1-yl]-1-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-1-N,6-N-diphenyl-3a,10b-dihydropyrene-1,6-diamine
PubChem CID138667160
Molecular FormulaC116H96N2
Molecular Weight1518.06 g/mol
Exact Mass1516.76
IUPAC Name6-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]cyclohexa-2,4-dien-1-yl]-1-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-1-N,6-N-diphenyl-3a,10b-dihydropyrene-1,6-diamine
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc2-3)cc(C)c1C1=CCC(N(c2ccccc2)c2ccc3c4c2C=CC2C=CC(N(c5ccccc5)c5ccc(-c6c(C)cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7-8)cc6C)cc5)=C(C=C3)C42)C=C1
InChIInChI=1S/C116H96N2/c1-69-59-83(81-41-53-95-93-51-39-79(65-103(93)115(9,10)105(95)67-81)77-37-49-91-89-27-19-21-29-99(89)113(5,6)101(91)63-77)60-70(2)109(69)73-31-45-87(46-32-73)117(85-23-15-13-16-24-85)107-57-43-75-36-56-98-108(58-44-76-35-55-97(107)111(75)112(76)98)118(86-25-17-14-18-26-86)88-47-33-74(34-48-88)110-71(3)61-84(62-72(110)4)82-42-54-96-94-52-40-80(66-104(94)116(11,12)106(96)68-82)78-38-50-92-90-28-20-22-30-100(90)114(7,8)102(92)64-78/h13-47,49-68,75,88,111H,48H2,1-12H3
InChIKeySEXMSHFUKJHTRW-UHFFFAOYSA-N
XLogP30.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001518.06
LogP ≤ 530.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]cyclohexa-2,4-dien-1-yl]-1-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-1-N,6-N-diphenyl-3a,10b-dihydropyrene-1,6-diamine with MolForge

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Related Compounds

1-N,3-N-bis(2-methyl-4-phenylphenyl)-3-N-(4-phenylcyclohexa-2,4-dien-1-yl)-1-N-(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 139540997
9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 167250657
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7,7-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoreno[4,3-b][1]benzothiol-1-amine
CID 145021150
6-N,12-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine
CID 138666683
5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 139322280
1-N,1-N,6-N,6-N-tetrakis[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]phenyl]pyrene-1,6-diamine
CID 170258203
9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine
CID 138666682
6-N,12-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-6-N,12-N-dinaphthalen-2-ylchrysene-6,12-diamine
CID 138667164
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 129301169
N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 164821085
3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline
CID 58389731
9-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 170411394

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]cyclohexa-2,4-dien-1-yl]-1-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-1-N,6-N-diphenyl-3a,10b-dihydropyrene-1,6-diamine?
The IUPAC name of 6-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]cyclohexa-2,4-dien-1-yl]-1-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-1-N,6-N-diphenyl-3a,10b-dihydropyrene-1,6-diamine (CID 138667160) is 6-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]cyclohexa-2,4-dien-1-yl]-1-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-1-N,6-N-diphenyl-3a,10b-dihydropyrene-1,6-diamine.
What is the SMILES notation for 6-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]cyclohexa-2,4-dien-1-yl]-1-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-1-N,6-N-diphenyl-3a,10b-dihydropyrene-1,6-diamine?
The canonical SMILES for 6-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]cyclohexa-2,4-dien-1-yl]-1-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-1-N,6-N-diphenyl-3a,10b-dihydropyrene-1,6-diamine is Cc1cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc2-3)cc(C)c1C1=CCC(N(c2ccccc2)c2ccc3c4c2C=CC2C=CC(N(c5ccccc5)c5ccc(-c6c(C)cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7-8)cc6C)cc5)=C(C=C3)C42)C=C1.
What is the InChIKey of 6-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]cyclohexa-2,4-dien-1-yl]-1-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-1-N,6-N-diphenyl-3a,10b-dihydropyrene-1,6-diamine?
The InChIKey is SEXMSHFUKJHTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H96N2/c1-69-59-83(81-41-53-95-93-51-39-79(65-103(93)115(9,10)105(95)67-81)77-37-49-91-89-27-19-21-29-99(89)113(5,6)101(91)63-77)60-70(2)109(69)73-31-45-87(46-32-73)117(85-23-15-13-16-24-85)107-57-43-75-36-56-98-108(58-44-76-35-55-97(107)111(75)112(76)98)118(86-25-17-14-18-26-86)88-47-33-74(34-48-88)110-71(3)61-84(62-72(110)4)82-42-54-96-94-52-40-80(66-104(94)116(11,12)106(96)68-82)78-38-50-92-90-28-20-22-30-100(90)114(7,8)102(92)64-78/h13-47,49-68,75,88,111H,48H2,1-12H3.
What are the key properties of 6-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]cyclohexa-2,4-dien-1-yl]-1-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-1-N,6-N-diphenyl-3a,10b-dihydropyrene-1,6-diamine?
6-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]cyclohexa-2,4-dien-1-yl]-1-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-1-N,6-N-diphenyl-3a,10b-dihydropyrene-1,6-diamine has a molecular weight of 1518.06 g/mol, XLogP of 30.45, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]cyclohexa-2,4-dien-1-yl]-1-N-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-1-N,6-N-diphenyl-3a,10b-dihydropyrene-1,6-diamine is sourced from PubChem (CID 138667160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).