8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole

C48H29N3S — CID 145419218

IUPAC8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc(-n3c4ccc5ccccc5c4c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c43)nc3ccccc23)cc1
InChIInChI=1S/C48H29N3S/c1-2-14-31(15-3-1)45-39-20-6-8-25-41(39)49-48(50-45)51-42-28-27-30-13-4-5-18-34(30)44(42)40-24-11-21-35(46(40)51)32-16-10-17-33(29-32)36-22-12-23-38-37-19-7-9-26-43(37)52-47(36)38/h1-29H
InChIKeyIDOCLECCQYCSHF-UHFFFAOYSA-N
MW679.85 g/mol
LogP13.25
Rot. Bonds4

About 8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole

8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole (PubChem CID 145419218) has the molecular formula C48H29N3S and a molecular weight of 679.85 g/mol. Its IUPAC name is 8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
PubChem CID145419218
Molecular FormulaC48H29N3S
Molecular Weight679.85 g/mol
Exact Mass679.21
IUPAC Name8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc(-n3c4ccc5ccccc5c4c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c43)nc3ccccc23)cc1
InChIInChI=1S/C48H29N3S/c1-2-14-31(15-3-1)45-39-20-6-8-25-41(39)49-48(50-45)51-42-28-27-30-13-4-5-18-34(30)44(42)40-24-11-21-35(46(40)51)32-16-10-17-33(29-32)36-22-12-23-38-37-19-7-9-26-43(37)52-47(36)38/h1-29H
InChIKeyIDOCLECCQYCSHF-UHFFFAOYSA-N
XLogP13.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.85
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 168730639
8-dibenzothiophen-4-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 142571610
27-(4-phenylquinazolin-2-yl)-3,5-dithia-27-azaheptacyclo[14.11.0.02,13.04,12.06,11.017,26.018,23]heptacosa-1(16),2(13),4(12),6,8,10,14,17(26),18,20,22,24-dodecaene
CID 118602324
2-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole;3-(9-phenylcarbazol-3-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 159438708
3-(4-phenylquinazolin-2-yl)-3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene
CID 118301095
8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570090
18-(4-phenylquinazolin-2-yl)-10,21-dithia-18-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.020,28.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19(31),20(28),22,24,26,29-tetradecaene
CID 146610735
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135
1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142572129
7-deuterio-28-(4-phenylquinazolin-2-yl)-3-thia-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 155631812
1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568323
1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568439

Frequently Asked Questions

What is the IUPAC name of 8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole?
The IUPAC name of 8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole (CID 145419218) is 8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole?
The canonical SMILES for 8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole is c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c43)nc3ccccc23)cc1.
What is the InChIKey of 8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole?
The InChIKey is IDOCLECCQYCSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3S/c1-2-14-31(15-3-1)45-39-20-6-8-25-41(39)49-48(50-45)51-42-28-27-30-13-4-5-18-34(30)44(42)40-24-11-21-35(46(40)51)32-16-10-17-33(29-32)36-22-12-23-38-37-19-7-9-26-43(37)52-47(36)38/h1-29H.
What are the key properties of 8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole?
8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole has a molecular weight of 679.85 g/mol, XLogP of 13.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 145419218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).