ethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine

C47H50N2 — CID 145426280

IUPACethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine
SMILESC=CC1=C(/C=C\C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5[nH]cc(C)c5c4)cc3)cc2C1(C)C.CC.CC
InChIInChI=1S/C43H38N2.2C2H6/c1-6-11-37-38-24-23-36(27-41(38)43(4,5)40(37)7-2)45(34-19-14-31(15-20-34)30-12-9-8-10-13-30)35-21-16-32(17-22-35)33-18-25-42-39(26-33)29(3)28-44-42;2*1-2/h6-28,44H,2H2,1,3-5H3;2*1-2H3/b11-6-;;
InChIKeyZCCROQIFQDYRCH-LEOXJOGCSA-N
MW642.93 g/mol
LogP14.14
Rot. Bonds7

About ethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine

ethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine (PubChem CID 145426280) has the molecular formula C47H50N2 and a molecular weight of 642.93 g/mol. Its IUPAC name is ethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine.

Molecular Properties

Compound Nameethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine
PubChem CID145426280
Molecular FormulaC47H50N2
Molecular Weight642.93 g/mol
Exact Mass642.40
IUPAC Nameethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine
SMILESC=CC1=C(/C=C\C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5[nH]cc(C)c5c4)cc3)cc2C1(C)C.CC.CC
InChIInChI=1S/C43H38N2.2C2H6/c1-6-11-37-38-24-23-36(27-41(38)43(4,5)40(37)7-2)45(34-19-14-31(15-20-34)30-12-9-8-10-13-30)35-21-16-32(17-22-35)33-18-25-42-39(26-33)29(3)28-44-42;2*1-2/h6-28,44H,2H2,1,3-5H3;2*1-2H3/b11-6-;;
InChIKeyZCCROQIFQDYRCH-LEOXJOGCSA-N
XLogP14.14
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.93
LogP ≤ 514.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine
CID 145426312
9,9-dimethyl-N-[4-(6-phenyl-9H-carbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155383152
2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 167024948
1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine
CID 144725239
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
4-[3-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-2,6-diphenylpyrimidine
CID 134274559
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
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-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573
N-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142540840
N-[4-(9H-carbazol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59306861

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine?
The IUPAC name of ethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine (CID 145426280) is ethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine.
What is the SMILES notation for ethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine?
The canonical SMILES for ethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine is C=CC1=C(/C=C\C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5[nH]cc(C)c5c4)cc3)cc2C1(C)C.CC.CC.
What is the InChIKey of ethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine?
The InChIKey is ZCCROQIFQDYRCH-LEOXJOGCSA-N. The full InChI is InChI=1S/C43H38N2.2C2H6/c1-6-11-37-38-24-23-36(27-41(38)43(4,5)40(37)7-2)45(34-19-14-31(15-20-34)30-12-9-8-10-13-30)35-21-16-32(17-22-35)33-18-25-42-39(26-33)29(3)28-44-42;2*1-2/h6-28,44H,2H2,1,3-5H3;2*1-2H3/b11-6-;;.
What are the key properties of ethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine?
ethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine has a molecular weight of 642.93 g/mol, XLogP of 14.14, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine is sourced from PubChem (CID 145426280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).