N'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine

C41H36N2 — CID 174307989

IUPACN'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(/C(=C/Cc3ccc(-c4ccccc4)cc3)NC(N)c3ccccc3)cccc21
InChIInChI=1S/C41H36N2/c1-41(2)36-19-11-18-34(39(36)35-26-32-16-9-10-17-33(32)27-37(35)41)38(43-40(42)31-14-7-4-8-15-31)25-22-28-20-23-30(24-21-28)29-12-5-3-6-13-29/h3-21,23-27,40,43H,22,42H2,1-2H3/b38-25-
InChIKeyKUOKOOBZZLMHBM-NHXQZRDHSA-N
MW556.75 g/mol
LogP9.64
Rot. Bonds7

About N'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine

N'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine (PubChem CID 174307989) has the molecular formula C41H36N2 and a molecular weight of 556.75 g/mol. Its IUPAC name is N'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine.

Molecular Properties

Compound NameN'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine
PubChem CID174307989
Molecular FormulaC41H36N2
Molecular Weight556.75 g/mol
Exact Mass556.29
IUPAC NameN'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(/C(=C/Cc3ccc(-c4ccccc4)cc3)NC(N)c3ccccc3)cccc21
InChIInChI=1S/C41H36N2/c1-41(2)36-19-11-18-34(39(36)35-26-32-16-9-10-17-33(32)27-37(35)41)38(43-40(42)31-14-7-4-8-15-31)25-22-28-20-23-30(24-21-28)29-12-5-3-6-13-29/h3-21,23-27,40,43H,22,42H2,1-2H3/b38-25-
InChIKeyKUOKOOBZZLMHBM-NHXQZRDHSA-N
XLogP9.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.75
LogP ≤ 59.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(7,7-dimethylbenzo[g]fluoren-9-yl)prop-1-enyl]-1-phenylmethanediamine
CID 174308735
N'-[(Z)-1-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-3-(3-naphthalen-1-ylphenyl)prop-1-enyl]-1-phenylmethanediamine
CID 174310633
N'-[(Z)-3-[2-(carbazol-9-ylmethyl)phenyl]-1-(11,11-dimethylbenzo[b]fluoren-4-yl)prop-1-enyl]-1-phenylmethanediamine
CID 174308396
N'-[(Z)-1-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-3-(4-pyrrol-1-ium-3-ylphenyl)prop-1-enyl]-1-phenylmethanediamine
CID 174310098
(Z)-N-benzyl-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)prop-1-en-1-amine
CID 174308587
N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)prop-1-enyl]-1-phenylmethanediamine
CID 174309497
N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-3-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)prop-1-enyl]-1-phenylmethanediamine
CID 174309499
N'-[(E)-3-(11,11-dimethylbenzo[b]fluoren-4-yl)-1-(3,5-diphenylphenyl)prop-2-enyl]-1-phenylmethanediamine
CID 174308105
N-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-[3-(9,9-dimethylfluoren-4-yl)phenyl]prop-1-enyl]-1-phenylmethanimine
CID 174308121
4-[2-[(E)-1-[[amino(phenyl)methyl]amino]-3-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]benzonitrile
CID 174309678
N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(4-phenylphenyl)prop-1-enyl]-4-phenylbenzenecarboximidamide
CID 176834722
(1Z,3E)-3-[9,9-dimethyl-6'-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]-1,5-diphenylpenta-1,3-dien-1-amine
CID 142480492

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine?
The IUPAC name of N'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine (CID 174307989) is N'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine.
What is the SMILES notation for N'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine?
The canonical SMILES for N'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine is CC1(C)c2cc3ccccc3cc2-c2c(/C(=C/Cc3ccc(-c4ccccc4)cc3)NC(N)c3ccccc3)cccc21.
What is the InChIKey of N'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine?
The InChIKey is KUOKOOBZZLMHBM-NHXQZRDHSA-N. The full InChI is InChI=1S/C41H36N2/c1-41(2)36-19-11-18-34(39(36)35-26-32-16-9-10-17-33(32)27-37(35)41)38(43-40(42)31-14-7-4-8-15-31)25-22-28-20-23-30(24-21-28)29-12-5-3-6-13-29/h3-21,23-27,40,43H,22,42H2,1-2H3/b38-25-.
What are the key properties of N'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine?
N'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine has a molecular weight of 556.75 g/mol, XLogP of 9.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine is sourced from PubChem (CID 174307989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).