N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine

C61H45N — CID 134491053

IUPACN-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine
SMILESC=CC1=C(/C=C\C)C(c2ccccc2)(c2ccccc2)c2cc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C61H45N/c1-3-21-56-52(4-2)54-38-36-51(42-59(54)61(56,47-28-13-7-14-29-47)48-30-15-8-16-31-48)62(49-35-34-43-22-17-18-23-44(43)40-49)50-37-39-58-55(41-50)53-32-19-20-33-57(53)60(58,45-24-9-5-10-25-45)46-26-11-6-12-27-46/h3-42H,2H2,1H3/b21-3-
InChIKeyHGTMUJWVIPMNAU-OSSHXBFKSA-N
MW792.04 g/mol
LogP15.54
Rot. Bonds9

About N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine

N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine (PubChem CID 134491053) has the molecular formula C61H45N and a molecular weight of 792.04 g/mol. Its IUPAC name is N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine.

Molecular Properties

Compound NameN-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine
PubChem CID134491053
Molecular FormulaC61H45N
Molecular Weight792.04 g/mol
Exact Mass791.36
IUPAC NameN-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine
SMILESC=CC1=C(/C=C\C)C(c2ccccc2)(c2ccccc2)c2cc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C61H45N/c1-3-21-56-52(4-2)54-38-36-51(42-59(54)61(56,47-28-13-7-14-29-47)48-30-15-8-16-31-48)62(49-35-34-43-22-17-18-23-44(43)40-49)50-37-39-58-55(41-50)53-32-19-20-33-57(53)60(58,45-24-9-5-10-25-45)46-26-11-6-12-27-46/h3-42H,2H2,1H3/b21-3-
InChIKeyHGTMUJWVIPMNAU-OSSHXBFKSA-N
XLogP15.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.04
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-3-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121423646
N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 144681311
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831
N-[3-cyclohexa-1,5-dien-1-yl-1-ethenyl-3-phenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-3-amine
CID 142540910
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166033580
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
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
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)fluoren-2-amine
CID 126548455

Frequently Asked Questions

What is the IUPAC name of N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine?
The IUPAC name of 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) is N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine.
What is the SMILES notation for N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine?
The canonical SMILES for N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine is C=CC1=C(/C=C\C)C(c2ccccc2)(c2ccccc2)c2cc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3)ccc21.
What is the InChIKey of N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine?
The InChIKey is HGTMUJWVIPMNAU-OSSHXBFKSA-N. The full InChI is InChI=1S/C61H45N/c1-3-21-56-52(4-2)54-38-36-51(42-59(54)61(56,47-28-13-7-14-29-47)48-30-15-8-16-31-48)62(49-35-34-43-22-17-18-23-44(43)40-49)50-37-39-58-55(41-50)53-32-19-20-33-57(53)60(58,45-24-9-5-10-25-45)46-26-11-6-12-27-46/h3-42H,2H2,1H3/b21-3-.
What are the key properties of N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine?
N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine has a molecular weight of 792.04 g/mol, XLogP of 15.54, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 134491053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).