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

C48H29N3S — CID 168730639

IUPAC10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6cccc7c6sc6ccccc67)cc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C48H29N3S/c1-2-11-30(12-3-1)31-21-23-33(24-22-31)46-39-16-6-8-19-41(39)49-48(50-46)51-42-27-26-34(29-40(42)45-35-14-5-4-13-32(35)25-28-43(45)51)36-17-10-18-38-37-15-7-9-20-44(37)52-47(36)38/h1-29H
InChIKeyVZMBOIDRFJNICX-UHFFFAOYSA-N
MW679.85 g/mol
LogP13.25
Rot. Bonds4

About 10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole

10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 168730639) has the molecular formula C48H29N3S and a molecular weight of 679.85 g/mol. Its IUPAC name is 10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
PubChem CID168730639
Molecular FormulaC48H29N3S
Molecular Weight679.85 g/mol
Exact Mass679.21
IUPAC Name10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6cccc7c6sc6ccccc67)cc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C48H29N3S/c1-2-11-30(12-3-1)31-21-23-33(24-22-31)46-39-16-6-8-19-41(39)49-48(50-46)51-42-27-26-34(29-40(42)45-35-14-5-4-13-32(35)25-28-43(45)51)36-17-10-18-38-37-15-7-9-20-44(37)52-47(36)38/h1-29H
InChIKeyVZMBOIDRFJNICX-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

8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 145419218
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
7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole
CID 122692460
2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 131979694
7-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]benzo[c]carbazole;7-(4-dibenzothiophen-4-ylquinolin-2-yl)benzo[c]carbazole
CID 158854201
3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159551431
4-[7-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)benzo[c]carbazol-10-yl]-N,N-diphenylaniline
CID 155485478
10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481431
9-dibenzofuran-3-yl-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;9-dibenzofuran-4-yl-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;9-dibenzothiophen-4-yl-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 160645000
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211
10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146374695
13-(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 170371687

Frequently Asked Questions

What is the IUPAC name of 10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole (CID 168730639) is 10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole is c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6cccc7c6sc6ccccc67)cc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1.
What is the InChIKey of 10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is VZMBOIDRFJNICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3S/c1-2-11-30(12-3-1)31-21-23-33(24-22-31)46-39-16-6-8-19-41(39)49-48(50-46)51-42-27-26-34(29-40(42)45-35-14-5-4-13-32(35)25-28-43(45)51)36-17-10-18-38-37-15-7-9-20-44(37)52-47(36)38/h1-29H.
What are the key properties of 10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
10-dibenzothiophen-4-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 10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 168730639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).