9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole

C54H36N2S — CID 144578956

IUPAC9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole
SMILESC=C1/C=C\C=C/N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c5ccccc5n(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)c4c3)cc21
InChIInChI=1S/C54H36N2S/c1-36-11-9-10-32-55(43-25-18-38(19-26-43)37-12-3-2-4-13-37)50-30-23-41(33-48(36)50)42-22-29-46-45-14-5-7-16-51(45)56(52(46)35-42)44-27-20-39(21-28-44)40-24-31-54-49(34-40)47-15-6-8-17-53(47)57-54/h2-35H,1H2/b11-9-,32-10-
InChIKeyQTLMSFIJDPIWGR-ZNYBLINLSA-N
MW744.96 g/mol
LogP15.39
Rot. Bonds5

About 9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole

9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole (PubChem CID 144578956) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is 9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole.

Molecular Properties

Compound Name9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole
PubChem CID144578956
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC Name9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole
SMILESC=C1/C=C\C=C/N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c5ccccc5n(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)c4c3)cc21
InChIInChI=1S/C54H36N2S/c1-36-11-9-10-32-55(43-25-18-38(19-26-43)37-12-3-2-4-13-37)50-30-23-41(33-48(36)50)42-22-29-46-45-14-5-7-16-51(45)56(52(46)35-42)44-27-20-39(21-28-44)40-24-31-54-49(34-40)47-15-6-8-17-53(47)57-54/h2-35H,1H2/b11-9-,32-10-
InChIKeyQTLMSFIJDPIWGR-ZNYBLINLSA-N
XLogP15.39
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.96
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2Z,4Z)-6-methylidene-1-phenyl-1-benzazocin-8-yl]-9-phenylcarbazole
CID 156643406
9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole
CID 167043312
9-[4-(6,7-dihydrodibenzothiophen-2-yl)-3-methylphenyl]-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole;ethane
CID 144579259
ethane;6-[2-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 176936679
9-(4-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438054
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
3-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009509
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole
CID 163575771
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
CID 146179575
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole?
The IUPAC name of 9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole (CID 144578956) is 9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole.
What is the SMILES notation for 9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole?
The canonical SMILES for 9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole is C=C1/C=C\C=C/N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c5ccccc5n(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)c4c3)cc21.
What is the InChIKey of 9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole?
The InChIKey is QTLMSFIJDPIWGR-ZNYBLINLSA-N. The full InChI is InChI=1S/C54H36N2S/c1-36-11-9-10-32-55(43-25-18-38(19-26-43)37-12-3-2-4-13-37)50-30-23-41(33-48(36)50)42-22-29-46-45-14-5-7-16-51(45)56(52(46)35-42)44-27-20-39(21-28-44)40-24-31-54-49(34-40)47-15-6-8-17-53(47)57-54/h2-35H,1H2/b11-9-,32-10-.
What are the key properties of 9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole?
9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole has a molecular weight of 744.96 g/mol, XLogP of 15.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole is sourced from PubChem (CID 144578956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).