7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine

C80H67N3 — CID 59246344

IUPAC7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
SMILESCc1cccc(N(c2cccc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8cccc(C)c8)c8cccc(C)c8)ccc6-7)ccc4n5-c4ccccc4)ccc2-3)c1
InChIInChI=1S/C80H67N3/c1-52-16-12-22-61(42-52)81(62-23-13-17-53(2)43-62)65-34-38-69-67-36-30-58(48-73(67)79(5,6)75(69)50-65)28-26-56-32-40-77-71(46-56)72-47-57(33-41-78(72)83(77)60-20-10-9-11-21-60)27-29-59-31-37-68-70-39-35-66(51-76(70)80(7,8)74(68)49-59)82(63-24-14-18-54(3)44-63)64-25-15-19-55(4)45-64/h9-51H,1-8H3/b28-26+,29-27+
InChIKeyNBRIOAIMRCSYPU-TUUFZWAFSA-N
MW1070.44 g/mol
LogP21.91
Rot. Bonds11

About 7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine

7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine (PubChem CID 59246344) has the molecular formula C80H67N3 and a molecular weight of 1070.44 g/mol. Its IUPAC name is 7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
PubChem CID59246344
Molecular FormulaC80H67N3
Molecular Weight1070.44 g/mol
Exact Mass1069.53
IUPAC Name7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
SMILESCc1cccc(N(c2cccc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8cccc(C)c8)c8cccc(C)c8)ccc6-7)ccc4n5-c4ccccc4)ccc2-3)c1
InChIInChI=1S/C80H67N3/c1-52-16-12-22-61(42-52)81(62-23-13-17-53(2)43-62)65-34-38-69-67-36-30-58(48-73(67)79(5,6)75(69)50-65)28-26-56-32-40-77-71(46-56)72-47-57(33-41-78(72)83(77)60-20-10-9-11-21-60)27-29-59-31-37-68-70-39-35-66(51-76(70)80(7,8)74(68)49-59)82(63-24-14-18-54(3)44-63)64-25-15-19-55(4)45-64/h9-51H,1-8H3/b28-26+,29-27+
InChIKeyNBRIOAIMRCSYPU-TUUFZWAFSA-N
XLogP21.91
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001070.44
LogP ≤ 521.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine with MolForge

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Related Compounds

7-[2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90878487
7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine
CID 89074664
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 90693832
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 91484997
2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 58969350
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;N,9-diphenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 159625634
7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-ylfluoren-2-amine
CID 59246107
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
7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
CID 59245923
N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine
CID 89067725
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
7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-(3-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-N-(4-tert-butylphenyl)-9,9-dimethyl-N-(3-methylphenyl)fluoren-2-amine
CID 59245944

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine?
The IUPAC name of 7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine (CID 59246344) is 7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine?
The canonical SMILES for 7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine is Cc1cccc(N(c2cccc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8cccc(C)c8)c8cccc(C)c8)ccc6-7)ccc4n5-c4ccccc4)ccc2-3)c1.
What is the InChIKey of 7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine?
The InChIKey is NBRIOAIMRCSYPU-TUUFZWAFSA-N. The full InChI is InChI=1S/C80H67N3/c1-52-16-12-22-61(42-52)81(62-23-13-17-53(2)43-62)65-34-38-69-67-36-30-58(48-73(67)79(5,6)75(69)50-65)28-26-56-32-40-77-71(46-56)72-47-57(33-41-78(72)83(77)60-20-10-9-11-21-60)27-29-59-31-37-68-70-39-35-66(51-76(70)80(7,8)74(68)49-59)82(63-24-14-18-54(3)44-63)64-25-15-19-55(4)45-64/h9-51H,1-8H3/b28-26+,29-27+.
What are the key properties of 7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine?
7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine has a molecular weight of 1070.44 g/mol, XLogP of 21.91, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 59246344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).