3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole

C62H36N4S — CID 146375598

IUPAC3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccc(-n2c4ccccc4c4c5ccccc5ccc42)cc1n3-c1cccc2c(-c3nc(-c4cccc5c4sc4ccccc45)c4ccccc4n3)cccc12
InChIInChI=1S/C62H36N4S/c1-2-16-39-35-56-51(34-38(39)15-1)44-32-31-40(65-54-27-9-6-20-49(54)59-41-17-4-3-14-37(41)30-33-55(59)65)36-57(44)66(56)53-28-13-21-42-43(53)22-11-24-47(42)62-63-52-26-8-5-19-48(52)60(64-62)50-25-12-23-46-45-18-7-10-29-58(45)67-61(46)50/h1-36H
InChIKeyISZPNXULXCOMPB-UHFFFAOYSA-N
MW869.07 g/mol
LogP16.99
Rot. Bonds4

About 3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole

3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146375598) has the molecular formula C62H36N4S and a molecular weight of 869.07 g/mol. Its IUPAC name is 3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
PubChem CID146375598
Molecular FormulaC62H36N4S
Molecular Weight869.07 g/mol
Exact Mass868.27
IUPAC Name3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccc(-n2c4ccccc4c4c5ccccc5ccc42)cc1n3-c1cccc2c(-c3nc(-c4cccc5c4sc4ccccc45)c4ccccc4n3)cccc12
InChIInChI=1S/C62H36N4S/c1-2-16-39-35-56-51(34-38(39)15-1)44-32-31-40(65-54-27-9-6-20-49(54)59-41-17-4-3-14-37(41)30-33-55(59)65)36-57(44)66(56)53-28-13-21-42-43(53)22-11-24-47(42)62-63-52-26-8-5-19-48(52)60(64-62)50-25-12-23-46-45-18-7-10-29-58(45)67-61(46)50/h1-36H
InChIKeyISZPNXULXCOMPB-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 ≤ 500869.07
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 139362260
12-[4-(4-dibenzothiophen-4-ylquinazolin-2-yl)dibenzothiophen-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 163621496
7-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]benzo[c]carbazole
CID 163570755
12-[4-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]dibenzothiophen-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;12-[4-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]dibenzothiophen-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;12-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-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 163995982
9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375186
9-carbazol-9-yl-7-(4-dibenzothiophen-1-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481219
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621086
3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477032
3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375849
5-[5-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621293
8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146374843
7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
CID 146374669

Frequently Asked Questions

What is the IUPAC name of 3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 146375598) is 3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccc(-n2c4ccccc4c4c5ccccc5ccc42)cc1n3-c1cccc2c(-c3nc(-c4cccc5c4sc4ccccc45)c4ccccc4n3)cccc12.
What is the InChIKey of 3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is ISZPNXULXCOMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N4S/c1-2-16-39-35-56-51(34-38(39)15-1)44-32-31-40(65-54-27-9-6-20-49(54)59-41-17-4-3-14-37(41)30-33-55(59)65)36-57(44)66(56)53-28-13-21-42-43(53)22-11-24-47(42)62-63-52-26-8-5-19-48(52)60(64-62)50-25-12-23-46-45-18-7-10-29-58(45)67-61(46)50/h1-36H.
What are the key properties of 3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 869.07 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 3-benzo[c]carbazol-7-yl-5-[5-(4-dibenzothiophen-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146375598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).