7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C112H90N2 — CID 59246429

IUPAC7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(/C=C/c5ccc6c7ccc(/C=C/c8ccc9c(c8)C(C)(C)c8cc(N(c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)ccc8-9)cc7c7ccccc7c6c5)ccc3-4)cc21
InChIInChI=1S/C112H90N2/c1-107(2)95-29-19-15-25-81(95)87-51-41-71(61-101(87)107)113(72-42-52-88-82-26-16-20-30-96(82)108(3,4)102(88)62-72)75-45-55-91-85-49-39-69(59-99(85)111(9,10)105(91)65-75)35-33-67-37-47-79-80-48-38-68(58-94(80)78-24-14-13-23-77(78)93(79)57-67)34-36-70-40-50-86-92-56-46-76(66-106(92)112(11,12)100(86)60-70)114(73-43-53-89-83-27-17-21-31-97(83)109(5,6)103(89)63-73)74-44-54-90-84-28-18-22-32-98(84)110(7,8)104(90)64-74/h13-66H,1-12H3/b35-33+,36-34+
InChIKeyDWAHHCGIEIMQNR-LBYUQGKWSA-N
MW1463.97 g/mol
LogP30.26
Rot. Bonds10

About 7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 59246429) has the molecular formula C112H90N2 and a molecular weight of 1463.97 g/mol. Its IUPAC name is 7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound Name7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
PubChem CID59246429
Molecular FormulaC112H90N2
Molecular Weight1463.97 g/mol
Exact Mass1462.71
IUPAC Name7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(/C=C/c5ccc6c7ccc(/C=C/c8ccc9c(c8)C(C)(C)c8cc(N(c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)ccc8-9)cc7c7ccccc7c6c5)ccc3-4)cc21
InChIInChI=1S/C112H90N2/c1-107(2)95-29-19-15-25-81(95)87-51-41-71(61-101(87)107)113(72-42-52-88-82-26-16-20-30-96(82)108(3,4)102(88)62-72)75-45-55-91-85-49-39-69(59-99(85)111(9,10)105(91)65-75)35-33-67-37-47-79-80-48-38-68(58-94(80)78-24-14-13-23-77(78)93(79)57-67)34-36-70-40-50-86-92-56-46-76(66-106(92)112(11,12)100(86)60-70)114(73-43-53-89-83-27-17-21-31-97(83)109(5,6)103(89)63-73)74-44-54-90-84-28-18-22-32-98(84)110(7,8)104(90)64-74/h13-66H,1-12H3/b35-33+,36-34+
InChIKeyDWAHHCGIEIMQNR-LBYUQGKWSA-N
XLogP30.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001463.97
LogP ≤ 530.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine
CID 59246566
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844
N-(9,9-dimethylfluoren-2-yl)-7-[(E)-2-[4-[4-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59246228
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 90693832
7-[(E)-2-[7'-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(9-methylidenefluoren-2-yl)fluoren-2-amine
CID 89087903
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 90889703
N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 91399665
7-[(E)-2-[4-[10-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 59245877
N-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine
CID 59246194
N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
CID 170139827
7-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of 7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 59246429) is 7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for 7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for 7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(/C=C/c5ccc6c7ccc(/C=C/c8ccc9c(c8)C(C)(C)c8cc(N(c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)ccc8-9)cc7c7ccccc7c6c5)ccc3-4)cc21.
What is the InChIKey of 7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is DWAHHCGIEIMQNR-LBYUQGKWSA-N. The full InChI is InChI=1S/C112H90N2/c1-107(2)95-29-19-15-25-81(95)87-51-41-71(61-101(87)107)113(72-42-52-88-82-26-16-20-30-96(82)108(3,4)102(88)62-72)75-45-55-91-85-49-39-69(59-99(85)111(9,10)105(91)65-75)35-33-67-37-47-79-80-48-38-68(58-94(80)78-24-14-13-23-77(78)93(79)57-67)34-36-70-40-50-86-92-56-46-76(66-106(92)112(11,12)100(86)60-70)114(73-43-53-89-83-27-17-21-31-97(83)109(5,6)103(89)63-73)74-44-54-90-84-28-18-22-32-98(84)110(7,8)104(90)64-74/h13-66H,1-12H3/b35-33+,36-34+.
What are the key properties of 7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 1463.97 g/mol, XLogP of 30.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 59246429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).