(Z)-N'-[[3,5-di(carbazol-9-yl)phenyl]methyl]-3-phenyl-1-(3-phenylphenyl)prop-1-ene-1,3-diamine

C52H40N4 — CID 135245358

IUPAC(Z)-N'-[[3,5-di(carbazol-9-yl)phenyl]methyl]-3-phenyl-1-(3-phenylphenyl)prop-1-ene-1,3-diamine
SMILESN/C(=C\C(NCc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1)c1ccccc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C52H40N4/c53-47(40-21-15-20-39(32-40)37-16-3-1-4-17-37)34-48(38-18-5-2-6-19-38)54-35-36-30-41(55-49-26-11-7-22-43(49)44-23-8-12-27-50(44)55)33-42(31-36)56-51-28-13-9-24-45(51)46-25-10-14-29-52(46)56/h1-34,48,54H,35,53H2/b47-34-
InChIKeyIHZWAZKEYDISHB-UAAFHFPPSA-N
MW720.92 g/mol
LogP12.38
Rot. Bonds9

About (Z)-N'-[[3,5-di(carbazol-9-yl)phenyl]methyl]-3-phenyl-1-(3-phenylphenyl)prop-1-ene-1,3-diamine

(Z)-N'-[[3,5-di(carbazol-9-yl)phenyl]methyl]-3-phenyl-1-(3-phenylphenyl)prop-1-ene-1,3-diamine (PubChem CID 135245358) has the molecular formula C52H40N4 and a molecular weight of 720.92 g/mol. Its IUPAC name is (Z)-N'-[[3,5-di(carbazol-9-yl)phenyl]methyl]-3-phenyl-1-(3-phenylphenyl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N'-[[3,5-di(carbazol-9-yl)phenyl]methyl]-3-phenyl-1-(3-phenylphenyl)prop-1-ene-1,3-diamine
PubChem CID135245358
Molecular FormulaC52H40N4
Molecular Weight720.92 g/mol
Exact Mass720.33
IUPAC Name(Z)-N'-[[3,5-di(carbazol-9-yl)phenyl]methyl]-3-phenyl-1-(3-phenylphenyl)prop-1-ene-1,3-diamine
SMILESN/C(=C\C(NCc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1)c1ccccc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C52H40N4/c53-47(40-21-15-20-39(32-40)37-16-3-1-4-17-37)34-48(38-18-5-2-6-19-38)54-35-36-30-41(55-49-26-11-7-22-43(49)44-23-8-12-27-50(44)55)33-42(31-36)56-51-28-13-9-24-45(51)46-25-10-14-29-52(46)56/h1-34,48,54H,35,53H2/b47-34-
InChIKeyIHZWAZKEYDISHB-UAAFHFPPSA-N
XLogP12.38
TPSA47.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.92
LogP ≤ 512.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
(Z)-1-[3-[3-(15,15-dimethyl-12-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-12-yl)phenyl]phenyl]-3-(4-phenylphenyl)prop-1-ene-1,3-diamine
CID 145299838
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-(3,5-diphenylphenyl)carbazole
CID 86068368
N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide
CID 143099604
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
9-[3-carbazol-9-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 58943250
9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole
CID 139303922
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
(Z,3R)-4-carbazol-9-yl-1,3-bis(4-phenylphenyl)but-1-ene-1,4-diamine
CID 90270103

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[[3,5-di(carbazol-9-yl)phenyl]methyl]-3-phenyl-1-(3-phenylphenyl)prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N'-[[3,5-di(carbazol-9-yl)phenyl]methyl]-3-phenyl-1-(3-phenylphenyl)prop-1-ene-1,3-diamine (CID 135245358) is (Z)-N'-[[3,5-di(carbazol-9-yl)phenyl]methyl]-3-phenyl-1-(3-phenylphenyl)prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N'-[[3,5-di(carbazol-9-yl)phenyl]methyl]-3-phenyl-1-(3-phenylphenyl)prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N'-[[3,5-di(carbazol-9-yl)phenyl]methyl]-3-phenyl-1-(3-phenylphenyl)prop-1-ene-1,3-diamine is N/C(=C\C(NCc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1)c1ccccc1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of (Z)-N'-[[3,5-di(carbazol-9-yl)phenyl]methyl]-3-phenyl-1-(3-phenylphenyl)prop-1-ene-1,3-diamine?
The InChIKey is IHZWAZKEYDISHB-UAAFHFPPSA-N. The full InChI is InChI=1S/C52H40N4/c53-47(40-21-15-20-39(32-40)37-16-3-1-4-17-37)34-48(38-18-5-2-6-19-38)54-35-36-30-41(55-49-26-11-7-22-43(49)44-23-8-12-27-50(44)55)33-42(31-36)56-51-28-13-9-24-45(51)46-25-10-14-29-52(46)56/h1-34,48,54H,35,53H2/b47-34-.
What are the key properties of (Z)-N'-[[3,5-di(carbazol-9-yl)phenyl]methyl]-3-phenyl-1-(3-phenylphenyl)prop-1-ene-1,3-diamine?
(Z)-N'-[[3,5-di(carbazol-9-yl)phenyl]methyl]-3-phenyl-1-(3-phenylphenyl)prop-1-ene-1,3-diamine has a molecular weight of 720.92 g/mol, XLogP of 12.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[[3,5-di(carbazol-9-yl)phenyl]methyl]-3-phenyl-1-(3-phenylphenyl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 135245358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).