9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole

C62H36N4S — CID 146375186

IUPAC9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc2c(c1)ccc1c2c2ccccc2n1-c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2ccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc4ccccc34)cc2c1
InChIInChI=1S/C62H36N4S/c1-2-12-46-38(11-1)26-30-56-60(46)51-16-5-9-19-55(51)65(56)44-28-24-39-35-57-52(34-43(39)33-44)47-13-4-8-18-54(47)66(57)45-27-23-37-21-22-40(31-42(37)32-45)61-50-15-3-7-17-53(50)63-62(64-61)41-25-29-49-48-14-6-10-20-58(48)67-59(49)36-41/h1-36H
InChIKeyRTWMTBGGMAFOJC-UHFFFAOYSA-N
MW869.06 g/mol
LogP16.99
Rot. Bonds4

About 9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole

9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole (PubChem CID 146375186) has the molecular formula C62H36N4S and a molecular weight of 869.06 g/mol. Its IUPAC name is 9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
PubChem CID146375186
Molecular FormulaC62H36N4S
Molecular Weight869.06 g/mol
Exact Mass868.27
IUPAC Name9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc2c(c1)ccc1c2c2ccccc2n1-c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2ccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc4ccccc34)cc2c1
InChIInChI=1S/C62H36N4S/c1-2-12-46-38(11-1)26-30-56-60(46)51-16-5-9-19-55(51)65(56)44-28-24-39-35-57-52(34-43(39)33-44)47-13-4-8-18-54(47)66(57)45-27-23-37-21-22-40(31-42(37)32-45)61-50-15-3-7-17-53(50)63-62(64-61)41-25-29-49-48-14-6-10-20-58(48)67-59(49)36-41/h1-36H
InChIKeyRTWMTBGGMAFOJC-UHFFFAOYSA-N
XLogP16.99
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.06
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375377
12-[4-(4-dibenzothiophen-3-ylquinazolin-2-yl)phenyl]-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 129149666
9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481266
9-benzo[a]carbazol-11-yl-7-(4-dibenzothiophen-3-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-(4-dibenzothiophen-3-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazole
CID 163688928
9-carbazol-9-yl-5-[7-(2-dibenzofuran-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole;9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole;9-carbazol-9-yl-5-[4-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
CID 158649736
3-benzo[c]carbazol-7-yl-5-[6-(3-dibenzofuran-1-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole;3-benzo[c]carbazol-7-yl-5-[7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 160724144
5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 139362260
8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146375996
9-carbazol-9-yl-5-[7-(2-dibenzofuran-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375561
9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481400
5-[3-(4-phenanthren-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 139362132
10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481431

Frequently Asked Questions

What is the IUPAC name of 9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole?
The IUPAC name of 9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole (CID 146375186) is 9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole.
What is the SMILES notation for 9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole?
The canonical SMILES for 9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole is c1ccc2c(c1)ccc1c2c2ccccc2n1-c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2ccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc4ccccc34)cc2c1.
What is the InChIKey of 9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole?
The InChIKey is RTWMTBGGMAFOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N4S/c1-2-12-46-38(11-1)26-30-56-60(46)51-16-5-9-19-55(51)65(56)44-28-24-39-35-57-52(34-43(39)33-44)47-13-4-8-18-54(47)66(57)45-27-23-37-21-22-40(31-42(37)32-45)61-50-15-3-7-17-53(50)63-62(64-61)41-25-29-49-48-14-6-10-20-58(48)67-59(49)36-41/h1-36H.
What are the key properties of 9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole?
9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole has a molecular weight of 869.06 g/mol, XLogP of 16.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 146375186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).