N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine

C46H38N2 — CID 145426312

IUPACN-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-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]c6ccccc6c5c4)cc3)cc2C1(C)C
InChIInChI=1S/C46H38N2/c1-5-12-38-39-27-26-37(30-43(39)46(3,4)42(38)6-2)48(35-22-17-32(18-23-35)31-13-8-7-9-14-31)36-24-19-33(20-25-36)34-21-28-45-41(29-34)40-15-10-11-16-44(40)47-45/h5-30,47H,2H2,1,3-4H3/b12-5-
InChIKeyPTSDJYKLFVCIAE-XGICHPGQSA-N
MW618.82 g/mol
LogP12.93
Rot. Bonds7

About N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine

N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine (PubChem CID 145426312) has the molecular formula C46H38N2 and a molecular weight of 618.82 g/mol. Its IUPAC name is N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine.

Molecular Properties

Compound NameN-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine
PubChem CID145426312
Molecular FormulaC46H38N2
Molecular Weight618.82 g/mol
Exact Mass618.30
IUPAC NameN-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-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]c6ccccc6c5c4)cc3)cc2C1(C)C
InChIInChI=1S/C46H38N2/c1-5-12-38-39-27-26-37(30-43(39)46(3,4)42(38)6-2)48(35-22-17-32(18-23-35)31-13-8-7-9-14-31)36-24-19-33(20-25-36)34-21-28-45-41(29-34)40-15-10-11-16-44(40)47-45/h5-30,47H,2H2,1,3-4H3/b12-5-
InChIKeyPTSDJYKLFVCIAE-XGICHPGQSA-N
XLogP12.93
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.82
LogP ≤ 512.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
N-[4-(9H-carbazol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59306861
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
N-[4-(9H-carbazol-3-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 162082223
4-(9H-carbazol-3-yl)-N,N-diphenylaniline;ethane
CID 144639434
N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 59306973
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
N-(9,9-dimethylfluoren-2-yl)-N-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-8-[9-(4-phenylphenyl)carbazol-3-yl]dibenzofuran-1-amine
CID 153368992
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
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573

Frequently Asked Questions

What is the IUPAC name of N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine?
The IUPAC name of 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) is N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine.
What is the SMILES notation for N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine?
The canonical SMILES for N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-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]c6ccccc6c5c4)cc3)cc2C1(C)C.
What is the InChIKey of N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine?
The InChIKey is PTSDJYKLFVCIAE-XGICHPGQSA-N. The full InChI is InChI=1S/C46H38N2/c1-5-12-38-39-27-26-37(30-43(39)46(3,4)42(38)6-2)48(35-22-17-32(18-23-35)31-13-8-7-9-14-31)36-24-19-33(20-25-36)34-21-28-45-41(29-34)40-15-10-11-16-44(40)47-45/h5-30,47H,2H2,1,3-4H3/b12-5-.
What are the key properties of N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine?
N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine has a molecular weight of 618.82 g/mol, XLogP of 12.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine is sourced from PubChem (CID 145426312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).