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

C58H34N4S — CID 146375377

IUPAC9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc2c(-c3ccc4ccc(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9ccccc98)ccc7cc65)cc4c3)nc(-c3ccc4c(c3)sc3ccccc34)nc2c1
InChIInChI=1S/C58H34N4S/c1-6-16-50-48(15-1)57(60-58(59-50)38-25-28-47-46-14-5-10-20-55(46)63-56(47)34-38)37-22-21-35-23-26-42(30-39(35)29-37)62-53-19-9-4-13-45(53)49-32-40-31-41(27-24-36(40)33-54(49)62)61-51-17-7-2-11-43(51)44-12-3-8-18-52(44)61/h1-34H
InChIKeyORKYVVJTRDXQQF-UHFFFAOYSA-N
MW819.00 g/mol
LogP15.83
Rot. Bonds4

About 9-carbazol-9-yl-5-[7-(2-dibenzothiophen-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 (PubChem CID 146375377) has the molecular formula C58H34N4S and a molecular weight of 819.00 g/mol. Its IUPAC name is 9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
PubChem CID146375377
Molecular FormulaC58H34N4S
Molecular Weight819.00 g/mol
Exact Mass818.25
IUPAC Name9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc2c(-c3ccc4ccc(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9ccccc98)ccc7cc65)cc4c3)nc(-c3ccc4c(c3)sc3ccccc34)nc2c1
InChIInChI=1S/C58H34N4S/c1-6-16-50-48(15-1)57(60-58(59-50)38-25-28-47-46-14-5-10-20-55(46)63-56(47)34-38)37-22-21-35-23-26-42(30-39(35)29-37)62-53-19-9-4-13-45(53)49-32-40-31-41(27-24-36(40)33-54(49)62)61-51-17-7-2-11-43(51)44-12-3-8-18-52(44)61/h1-34H
InChIKeyORKYVVJTRDXQQF-UHFFFAOYSA-N
XLogP15.83
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.00
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-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
9-carbazol-9-yl-5-[7-(2-dibenzofuran-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375561
5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 139362260
5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole
CID 139361804
5-[3-(4-phenanthren-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 139362132
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
11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 126630744
11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole
CID 147747131
2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[6-(2-dibenzothiophen-2-ylcarbazol-9-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 126632178
22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-naphthalen-2-yl-10-thia-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene
CID 118668002
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

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole?
The IUPAC name of 9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole (CID 146375377) is 9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole.
What is the SMILES notation for 9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole?
The canonical SMILES for 9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole is c1ccc2c(-c3ccc4ccc(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9ccccc98)ccc7cc65)cc4c3)nc(-c3ccc4c(c3)sc3ccccc34)nc2c1.
What is the InChIKey of 9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole?
The InChIKey is ORKYVVJTRDXQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4S/c1-6-16-50-48(15-1)57(60-58(59-50)38-25-28-47-46-14-5-10-20-55(46)63-56(47)34-38)37-22-21-35-23-26-42(30-39(35)29-37)62-53-19-9-4-13-45(53)49-32-40-31-41(27-24-36(40)33-54(49)62)61-51-17-7-2-11-43(51)44-12-3-8-18-52(44)61/h1-34H.
What are the key properties of 9-carbazol-9-yl-5-[7-(2-dibenzothiophen-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 has a molecular weight of 819.00 g/mol, XLogP of 15.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 146375377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).