(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

C51H39NO — CID 174308587

IUPAC(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
SMILESCC1(C)c2cc3ccccc3cc2-c2c(/C(=C/Cc3ccc(-c4ccc5oc6cc7ccccc7cc6c5c4)cc3)NCc3ccccc3)cccc21
InChIInChI=1S/C51H39NO/c1-51(2)45-18-10-17-41(50(45)44-29-37-14-6-8-15-38(37)30-46(44)51)47(52-32-34-11-4-3-5-12-34)25-21-33-19-22-35(23-20-33)40-24-26-48-42(28-40)43-27-36-13-7-9-16-39(36)31-49(43)53-48/h3-20,22-31,52H,21,32H2,1-2H3/b47-25-
InChIKeyPHZCKJKCKSDUBQ-YEOLPZPCSA-N
MW681.88 g/mol
LogP13.24
Rot. Bonds7

About (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

(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 (PubChem CID 174308587) has the molecular formula C51H39NO and a molecular weight of 681.88 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID174308587
Molecular FormulaC51H39NO
Molecular Weight681.88 g/mol
Exact Mass681.30
IUPAC Name(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
SMILESCC1(C)c2cc3ccccc3cc2-c2c(/C(=C/Cc3ccc(-c4ccc5oc6cc7ccccc7cc6c5c4)cc3)NCc3ccccc3)cccc21
InChIInChI=1S/C51H39NO/c1-51(2)45-18-10-17-41(50(45)44-29-37-14-6-8-15-38(37)30-46(44)51)47(52-32-34-11-4-3-5-12-34)25-21-33-19-22-35(23-20-33)40-24-26-48-42(28-40)43-27-36-13-7-9-16-39(36)31-49(43)53-48/h3-20,22-31,52H,21,32H2,1-2H3/b47-25-
InChIKeyPHZCKJKCKSDUBQ-YEOLPZPCSA-N
XLogP13.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.88
LogP ≤ 513.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine
CID 174307989
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
10-[4-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 174309490
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidine
CID 176794397
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-2-phenylpyrimidine
CID 176793586
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
4-(4-dibenzofuran-2-ylphenyl)-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176794760
2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran
CID 144583462
12,12-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-22-oxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene
CID 130189303
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-phenylpyrimidine
CID 176795349
N'-[(Z)-1-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-3-(3-naphthalen-1-ylphenyl)prop-1-enyl]-1-phenylmethanediamine
CID 174310633
4-[4-(3-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176793234

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)c2cc3ccccc3cc2-c2c(/C(=C/Cc3ccc(-c4ccc5oc6cc7ccccc7cc6c5c4)cc3)NCc3ccccc3)cccc21.
What is the InChIKey of (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?
The InChIKey is PHZCKJKCKSDUBQ-YEOLPZPCSA-N. The full InChI is InChI=1S/C51H39NO/c1-51(2)45-18-10-17-41(50(45)44-29-37-14-6-8-15-38(37)30-46(44)51)47(52-32-34-11-4-3-5-12-34)25-21-33-19-22-35(23-20-33)40-24-26-48-42(28-40)43-27-36-13-7-9-16-39(36)31-49(43)53-48/h3-20,22-31,52H,21,32H2,1-2H3/b47-25-.
What are the key properties of (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?
(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 has a molecular weight of 681.88 g/mol, XLogP of 13.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 174308587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).