7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine

C79H54N4O2 — CID 155473489

IUPAC7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4cccc(-c5cccc6ccccc56)c4)cc3)ccc2-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3cccc(-c4cccc5ccccc45)c3)cc21
InChIInChI=1S/C79H54N4O2/c1-79(2)71-49-56(51-31-38-59(39-32-51)82(60-40-33-54(34-41-60)77-80-73-27-7-9-29-75(73)84-77)62-21-11-19-57(47-62)67-25-13-17-52-15-3-5-23-65(52)67)37-45-69(71)70-46-44-64(50-72(70)79)83(61-42-35-55(36-43-61)78-81-74-28-8-10-30-76(74)85-78)63-22-12-20-58(48-63)68-26-14-18-53-16-4-6-24-66(53)68/h3-50H,1-2H3
InChIKeyLMHSGFUNFQSAAX-UHFFFAOYSA-N
MW1091.33 g/mol
LogP21.86
Rot. Bonds11

About 7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine

7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine (PubChem CID 155473489) has the molecular formula C79H54N4O2 and a molecular weight of 1091.33 g/mol. Its IUPAC name is 7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
PubChem CID155473489
Molecular FormulaC79H54N4O2
Molecular Weight1091.33 g/mol
Exact Mass1090.42
IUPAC Name7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4cccc(-c5cccc6ccccc56)c4)cc3)ccc2-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3cccc(-c4cccc5ccccc45)c3)cc21
InChIInChI=1S/C79H54N4O2/c1-79(2)71-49-56(51-31-38-59(39-32-51)82(60-40-33-54(34-41-60)77-80-73-27-7-9-29-75(73)84-77)62-21-11-19-57(47-62)67-25-13-17-52-15-3-5-23-65(52)67)37-45-69(71)70-46-44-64(50-72(70)79)83(61-42-35-55(36-43-61)78-81-74-28-8-10-30-76(74)85-78)63-22-12-20-58(48-63)68-26-14-18-53-16-4-6-24-66(53)68/h3-50H,1-2H3
InChIKeyLMHSGFUNFQSAAX-UHFFFAOYSA-N
XLogP21.86
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.33
LogP ≤ 521.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 155473483
2-N,7-N-bis[3-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 155473375
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2-N,7-N-bis(11,11-dimethylbenzo[a]fluoren-9-yl)-9,9-dimethylfluorene-2,7-diamine
CID 155473563
7-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 155473486
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 155473406
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142609784
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-di(triphenylen-2-yl)fluorene-2,7-diamine
CID 155473682
9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500254
N-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500337
9,9-dimethyl-7-naphthalen-1-yl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050412
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731471
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964327

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine?
The IUPAC name of 7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine (CID 155473489) is 7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine?
The canonical SMILES for 7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine is CC1(C)c2cc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4cccc(-c5cccc6ccccc56)c4)cc3)ccc2-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3cccc(-c4cccc5ccccc45)c3)cc21.
What is the InChIKey of 7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine?
The InChIKey is LMHSGFUNFQSAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H54N4O2/c1-79(2)71-49-56(51-31-38-59(39-32-51)82(60-40-33-54(34-41-60)77-80-73-27-7-9-29-75(73)84-77)62-21-11-19-57(47-62)67-25-13-17-52-15-3-5-23-65(52)67)37-45-69(71)70-46-44-64(50-72(70)79)83(61-42-35-55(36-43-61)78-81-74-28-8-10-30-76(74)85-78)63-22-12-20-58(48-63)68-26-14-18-53-16-4-6-24-66(53)68/h3-50H,1-2H3.
What are the key properties of 7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine?
7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine has a molecular weight of 1091.33 g/mol, XLogP of 21.86, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 155473489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).