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

C96H59N7S — CID 159438708

IUPAC2-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
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6cc(-c7cccc8c7sc7ccccc78)ccc6ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5ccc43)nc3ccccc23)cc1
InChIInChI=1S/C48H30N4.C48H29N3S/c1-3-13-31(14-4-1)47-38-18-7-10-20-41(38)49-48(50-47)52-43-22-12-9-19-39(43)46-36-26-23-32(29-34(36)25-28-45(46)52)33-24-27-44-40(30-33)37-17-8-11-21-42(37)51(44)35-15-5-2-6-16-35;1-2-11-30(12-3-1)31-21-24-33(25-22-31)46-38-14-4-7-18-41(38)49-48(50-46)51-42-19-8-5-15-39(42)45-40-29-34(26-23-32(40)27-28-43(45)51)35-16-10-17-37-36-13-6-9-20-44(36)52-47(35)37/h1-30H;1-29H
InChIKeyLRXBJZMEPOIOLY-UHFFFAOYSA-N
MW1342.64 g/mol
LogP25.56
Rot. Bonds8

About 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

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 (PubChem CID 159438708) has the molecular formula C96H59N7S and a molecular weight of 1342.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159438708
Molecular FormulaC96H59N7S
Molecular Weight1342.64 g/mol
Exact Mass1341.46
IUPAC Name2-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
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6cc(-c7cccc8c7sc7ccccc78)ccc6ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5ccc43)nc3ccccc23)cc1
InChIInChI=1S/C48H30N4.C48H29N3S/c1-3-13-31(14-4-1)47-38-18-7-10-20-41(38)49-48(50-47)52-43-22-12-9-19-39(43)46-36-26-23-32(29-34(36)25-28-45(46)52)33-24-27-44-40(30-33)37-17-8-11-21-42(37)51(44)35-15-5-2-6-16-35;1-2-11-30(12-3-1)31-21-24-33(25-22-31)46-38-14-4-7-18-41(38)49-48(50-46)51-42-19-8-5-15-39(42)45-40-29-34(26-23-32(40)27-28-43(45)51)35-16-10-17-37-36-13-6-9-20-44(36)52-47(35)37/h1-30H;1-29H
InChIKeyLRXBJZMEPOIOLY-UHFFFAOYSA-N
XLogP25.56
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001342.64
LogP ≤ 525.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 168730639
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
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
3-[9-(4-dibenzothiophen-3-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 165104887
3-carbazol-9-yl-9-[4-[7-[8-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-phenylquinazolin-7-yl]dibenzothiophen-4-yl]naphthalen-2-yl]quinazolin-2-yl]carbazole
CID 139315818
3-[9-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 138475093
2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 131979694
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
3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 130350871
3-[9-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 155485669
8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 145419218
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6cc(-c7cccc8c7sc7ccccc78)ccc6ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5ccc43)nc3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is LRXBJZMEPOIOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4.C48H29N3S/c1-3-13-31(14-4-1)47-38-18-7-10-20-41(38)49-48(50-47)52-43-22-12-9-19-39(43)46-36-26-23-32(29-34(36)25-28-45(46)52)33-24-27-44-40(30-33)37-17-8-11-21-42(37)51(44)35-15-5-2-6-16-35;1-2-11-30(12-3-1)31-21-24-33(25-22-31)46-38-14-4-7-18-41(38)49-48(50-46)51-42-19-8-5-15-39(42)45-40-29-34(26-23-32(40)27-28-43(45)51)35-16-10-17-37-36-13-6-9-20-44(36)52-47(35)37/h1-30H;1-29H.
What are the key properties of 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?
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 has a molecular weight of 1342.64 g/mol, XLogP of 25.56, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159438708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).