(Z)-N-(2-dibenzothiophen-4-ylcarbazol-9-yl)-3-[3-(4-phenylphenyl)phenyl]prop-1-ene-1,3-diamine

C45H33N3S — CID 144925989

IUPAC(Z)-N-(2-dibenzothiophen-4-ylcarbazol-9-yl)-3-[3-(4-phenylphenyl)phenyl]prop-1-ene-1,3-diamine
SMILESNC(/C=C\Nn1c2ccccc2c2ccc(-c3cccc4c3sc3ccccc34)cc21)c1cccc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C45H33N3S/c46-41(35-13-8-12-33(28-35)32-22-20-31(21-23-32)30-10-2-1-3-11-30)26-27-47-48-42-18-6-4-14-37(42)38-25-24-34(29-43(38)48)36-16-9-17-40-39-15-5-7-19-44(39)49-45(36)40/h1-29,41,47H,46H2/b27-26-
InChIKeySDVNRXHWGBPZPW-RQZHXJHFSA-N
MW647.85 g/mol
LogP11.92
Rot. Bonds7

About (Z)-N-(2-dibenzothiophen-4-ylcarbazol-9-yl)-3-[3-(4-phenylphenyl)phenyl]prop-1-ene-1,3-diamine

(Z)-N-(2-dibenzothiophen-4-ylcarbazol-9-yl)-3-[3-(4-phenylphenyl)phenyl]prop-1-ene-1,3-diamine (PubChem CID 144925989) has the molecular formula C45H33N3S and a molecular weight of 647.85 g/mol. Its IUPAC name is (Z)-N-(2-dibenzothiophen-4-ylcarbazol-9-yl)-3-[3-(4-phenylphenyl)phenyl]prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N-(2-dibenzothiophen-4-ylcarbazol-9-yl)-3-[3-(4-phenylphenyl)phenyl]prop-1-ene-1,3-diamine
PubChem CID144925989
Molecular FormulaC45H33N3S
Molecular Weight647.85 g/mol
Exact Mass647.24
IUPAC Name(Z)-N-(2-dibenzothiophen-4-ylcarbazol-9-yl)-3-[3-(4-phenylphenyl)phenyl]prop-1-ene-1,3-diamine
SMILESNC(/C=C\Nn1c2ccccc2c2ccc(-c3cccc4c3sc3ccccc34)cc21)c1cccc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C45H33N3S/c46-41(35-13-8-12-33(28-35)32-22-20-31(21-23-32)30-10-2-1-3-11-30)26-27-47-48-42-18-6-4-14-37(42)38-25-24-34(29-43(38)48)36-16-9-17-40-39-15-5-7-19-44(39)49-45(36)40/h1-29,41,47H,46H2/b27-26-
InChIKeySDVNRXHWGBPZPW-RQZHXJHFSA-N
XLogP11.92
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.85
LogP ≤ 511.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzothiophen-4-yl-N-[(Z)-3-imino-3-[4-(4-phenylphenyl)phenyl]prop-1-enyl]carbazol-9-amine
CID 144925982
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
2-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole;2-dibenzothiophen-4-yl-9-(4-phenylphenyl)carbazole;4-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 157492203
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
CID 159617411
CID 159617411
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261884

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-dibenzothiophen-4-ylcarbazol-9-yl)-3-[3-(4-phenylphenyl)phenyl]prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N-(2-dibenzothiophen-4-ylcarbazol-9-yl)-3-[3-(4-phenylphenyl)phenyl]prop-1-ene-1,3-diamine (CID 144925989) is (Z)-N-(2-dibenzothiophen-4-ylcarbazol-9-yl)-3-[3-(4-phenylphenyl)phenyl]prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N-(2-dibenzothiophen-4-ylcarbazol-9-yl)-3-[3-(4-phenylphenyl)phenyl]prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N-(2-dibenzothiophen-4-ylcarbazol-9-yl)-3-[3-(4-phenylphenyl)phenyl]prop-1-ene-1,3-diamine is NC(/C=C\Nn1c2ccccc2c2ccc(-c3cccc4c3sc3ccccc34)cc21)c1cccc(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of (Z)-N-(2-dibenzothiophen-4-ylcarbazol-9-yl)-3-[3-(4-phenylphenyl)phenyl]prop-1-ene-1,3-diamine?
The InChIKey is SDVNRXHWGBPZPW-RQZHXJHFSA-N. The full InChI is InChI=1S/C45H33N3S/c46-41(35-13-8-12-33(28-35)32-22-20-31(21-23-32)30-10-2-1-3-11-30)26-27-47-48-42-18-6-4-14-37(42)38-25-24-34(29-43(38)48)36-16-9-17-40-39-15-5-7-19-44(39)49-45(36)40/h1-29,41,47H,46H2/b27-26-.
What are the key properties of (Z)-N-(2-dibenzothiophen-4-ylcarbazol-9-yl)-3-[3-(4-phenylphenyl)phenyl]prop-1-ene-1,3-diamine?
(Z)-N-(2-dibenzothiophen-4-ylcarbazol-9-yl)-3-[3-(4-phenylphenyl)phenyl]prop-1-ene-1,3-diamine has a molecular weight of 647.85 g/mol, XLogP of 11.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-dibenzothiophen-4-ylcarbazol-9-yl)-3-[3-(4-phenylphenyl)phenyl]prop-1-ene-1,3-diamine is sourced from PubChem (CID 144925989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).