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

C62H53N — CID 142540910

IUPACN-[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
SMILESC=CC1=C(/C=C\C)C(C2=CCCC=C2)(c2ccccc2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cc5c(cc3C4(C)C)-c3ccccc3C5(C)C)ccc21
InChIInChI=1S/C62H53N/c1-7-20-56-48(8-2)50-35-33-47(38-59(50)62(56,43-23-14-10-15-24-43)44-25-16-11-17-26-44)63(45-31-29-42(30-32-45)41-21-12-9-13-22-41)46-34-36-55-51(37-46)53-40-57-52(39-58(53)61(55,5)6)49-27-18-19-28-54(49)60(57,3)4/h7-10,12-16,18-40H,2,11,17H2,1,3-6H3/b20-7-
InChIKeyMMSYXIHXIDAUOQ-SCDVKCJHSA-N
MW812.11 g/mol
LogP16.53
Rot. Bonds8

About 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

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 (PubChem CID 142540910) has the molecular formula C62H53N and a molecular weight of 812.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID142540910
Molecular FormulaC62H53N
Molecular Weight812.11 g/mol
Exact Mass811.42
IUPAC NameN-[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
SMILESC=CC1=C(/C=C\C)C(C2=CCCC=C2)(c2ccccc2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cc5c(cc3C4(C)C)-c3ccccc3C5(C)C)ccc21
InChIInChI=1S/C62H53N/c1-7-20-56-48(8-2)50-35-33-47(38-59(50)62(56,43-23-14-10-15-24-43)44-25-16-11-17-26-44)63(45-31-29-42(30-32-45)41-21-12-9-13-22-41)46-34-36-55-51(37-46)53-40-57-52(39-58(53)61(55,5)6)49-27-18-19-28-54(49)60(57,3)4/h7-10,12-16,18-40H,2,11,17H2,1,3-6H3/b20-7-
InChIKeyMMSYXIHXIDAUOQ-SCDVKCJHSA-N
XLogP16.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.11
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166906518
N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 144681311
1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine
CID 121463230
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
9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 167297491
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(3,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160568541
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158470030
N-(9,9-diphenylfluoren-2-yl)-6,6-dimethyl-N-(4-phenylphenyl)-12,12-di(propan-2-yl)indeno[1,2-b]fluoren-3-amine
CID 155095564
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142481064

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC1=C(/C=C\C)C(C2=CCCC=C2)(c2ccccc2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cc5c(cc3C4(C)C)-c3ccccc3C5(C)C)ccc21.
What is the InChIKey of 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?
The InChIKey is MMSYXIHXIDAUOQ-SCDVKCJHSA-N. The full InChI is InChI=1S/C62H53N/c1-7-20-56-48(8-2)50-35-33-47(38-59(50)62(56,43-23-14-10-15-24-43)44-25-16-11-17-26-44)63(45-31-29-42(30-32-45)41-21-12-9-13-22-41)46-34-36-55-51(37-46)53-40-57-52(39-58(53)61(55,5)6)49-27-18-19-28-54(49)60(57,3)4/h7-10,12-16,18-40H,2,11,17H2,1,3-6H3/b20-7-.
What are the key properties of 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?
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 has a molecular weight of 812.11 g/mol, XLogP of 16.53, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142540910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).