N-(9,9-diphenylfluoren-2-yl)-N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C79H55NO — CID 155423957

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESC=CC1=C(/C=C\C)C(c2ccccc2)(c2ccccc2)c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4oc5c6ccccc6c(-c6ccccc6-c6ccccc6)cc5c34)ccc21
InChIInChI=1S/C79H55NO/c1-3-27-70-60(4-2)65-48-46-58(50-72(65)78(70,54-30-12-6-13-31-54)55-32-14-7-15-33-55)80(59-47-49-66-64-41-24-25-43-71(64)79(73(66)51-59,56-34-16-8-17-35-56)57-36-18-9-19-37-57)74-44-26-45-75-76(74)69-52-68(63-40-22-23-42-67(63)77(69)81-75)62-39-21-20-38-61(62)53-28-10-5-11-29-53/h3-52H,2H2,1H3/b27-3-
InChIKeyCIPUFXNGUHQWQE-MWCIZMGKSA-N
MW1034.31 g/mol
LogP20.77
Rot. Bonds11

About N-(9,9-diphenylfluoren-2-yl)-N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-(9,9-diphenylfluoren-2-yl)-N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 155423957) has the molecular formula C79H55NO and a molecular weight of 1034.31 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID155423957
Molecular FormulaC79H55NO
Molecular Weight1034.31 g/mol
Exact Mass1033.43
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESC=CC1=C(/C=C\C)C(c2ccccc2)(c2ccccc2)c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4oc5c6ccccc6c(-c6ccccc6-c6ccccc6)cc5c34)ccc21
InChIInChI=1S/C79H55NO/c1-3-27-70-60(4-2)65-48-46-58(50-72(65)78(70,54-30-12-6-13-31-54)55-32-14-7-15-33-55)80(59-47-49-66-64-41-24-25-43-71(64)79(73(66)51-59,56-34-16-8-17-35-56)57-36-18-9-19-37-57)74-44-26-45-75-76(74)69-52-68(63-40-22-23-42-67(63)77(69)81-75)62-39-21-20-38-61(62)53-28-10-5-11-29-53/h3-52H,2H2,1H3/b27-3-
InChIKeyCIPUFXNGUHQWQE-MWCIZMGKSA-N
XLogP20.77
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.31
LogP ≤ 520.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-diphenylfluoren-2-yl)-N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423223
N-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423752
N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 161172220
N-(4-dibenzofuran-4-ylphenyl)-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-4-yl]-9,9'-spirobi[fluorene]-2-amine
CID 167119017
N-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 158322252
9,9-diphenyl-N-(2-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)fluoren-2-amine
CID 171452110
N-(9,9-dimethylfluoren-2-yl)-5-(2-phenylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-(9,9-dimethylfluoren-2-yl)-5-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine;5-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 158540927
N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 144681311
N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine
CID 134491053
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158287693
N-(9,9-diphenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119009

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 155423957) is N-(9,9-diphenylfluoren-2-yl)-N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is C=CC1=C(/C=C\C)C(c2ccccc2)(c2ccccc2)c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4oc5c6ccccc6c(-c6ccccc6-c6ccccc6)cc5c34)ccc21.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is CIPUFXNGUHQWQE-MWCIZMGKSA-N. The full InChI is InChI=1S/C79H55NO/c1-3-27-70-60(4-2)65-48-46-58(50-72(65)78(70,54-30-12-6-13-31-54)55-32-14-7-15-33-55)80(59-47-49-66-64-41-24-25-43-71(64)79(73(66)51-59,56-34-16-8-17-35-56)57-36-18-9-19-37-57)74-44-26-45-75-76(74)69-52-68(63-40-22-23-42-67(63)77(69)81-75)62-39-21-20-38-61(62)53-28-10-5-11-29-53/h3-52H,2H2,1H3/b27-3-.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 1034.31 g/mol, XLogP of 20.77, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 155423957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).