5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole

C48H29N3S — CID 122692448

IUPAC5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccccc6c(-c6ccc7sc8ccccc8c7c6)cc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C48H29N3S/c1-2-12-30(13-3-1)31-22-24-32(25-23-31)47-37-17-6-9-19-41(37)49-48(50-47)51-42-20-10-7-18-38(42)46-36-16-5-4-14-34(36)39(29-43(46)51)33-26-27-45-40(28-33)35-15-8-11-21-44(35)52-45/h1-29H
InChIKeyXKBLHWJWPXUSIT-UHFFFAOYSA-N
MW679.85 g/mol
LogP13.25
Rot. Bonds4

About 5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole

5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 122692448) has the molecular formula C48H29N3S and a molecular weight of 679.85 g/mol. Its IUPAC name is 5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
PubChem CID122692448
Molecular FormulaC48H29N3S
Molecular Weight679.85 g/mol
Exact Mass679.21
IUPAC Name5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccccc6c(-c6ccc7sc8ccccc8c7c6)cc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C48H29N3S/c1-2-12-30(13-3-1)31-22-24-32(25-23-31)47-37-17-6-9-19-41(37)49-48(50-47)51-42-20-10-7-18-38(42)46-36-16-5-4-14-34(36)39(29-43(46)51)33-26-27-45-40(28-33)35-15-8-11-21-44(35)52-45/h1-29H
InChIKeyXKBLHWJWPXUSIT-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

3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole
CID 118067250
9,15-diphenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999012
7-(4-phenylquinazolin-2-yl)-5-(5-phenylthiophen-2-yl)benzo[c]carbazole
CID 122692462
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
7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 129254561
9,15-diphenyl-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999013
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
3-[9-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 138475093
9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481266
7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole
CID 118637738
15-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 126702033

Frequently Asked Questions

What is the IUPAC name of 5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole (CID 122692448) is 5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccccc6c(-c6ccc7sc8ccccc8c7c6)cc54)nc4ccccc34)cc2)cc1.
What is the InChIKey of 5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is XKBLHWJWPXUSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3S/c1-2-12-30(13-3-1)31-22-24-32(25-23-31)47-37-17-6-9-19-41(37)49-48(50-47)51-42-20-10-7-18-38(42)46-36-16-5-4-14-34(36)39(29-43(46)51)33-26-27-45-40(28-33)35-15-8-11-21-44(35)52-45/h1-29H.
What are the key properties of 5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-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 5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 122692448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).