5-[5-(6-dibenzothiophen-3-yl-4-naphthalen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl)naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole

C58H37N3S2 — CID 155035526

IUPAC5-[5-(6-dibenzothiophen-3-yl-4-naphthalen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl)naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole
SMILESc1ccc2cc(C3=NC(c4c(-n5c6ccccc6c6cc7ccccc7cc65)c5c6ccccc6sc5c5ccccc45)NC(c4ccc5c(c4)sc4ccccc45)C3)ccc2c1
InChIInChI=1S/C58H37N3S2/c1-2-14-35-29-38(26-25-34(35)13-1)47-33-48(39-27-28-42-41-18-8-11-23-51(41)62-53(42)32-39)60-58(59-47)55-43-19-5-6-20-44(43)57-54(45-21-9-12-24-52(45)63-57)56(55)61-49-22-10-7-17-40(49)46-30-36-15-3-4-16-37(36)31-50(46)61/h1-32,48,58,60H,33H2
InChIKeyIBBDUHYHFOVZBM-UHFFFAOYSA-N
MW840.09 g/mol
LogP16.20
Rot. Bonds4

About 5-[5-(6-dibenzothiophen-3-yl-4-naphthalen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl)naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole

5-[5-(6-dibenzothiophen-3-yl-4-naphthalen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl)naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole (PubChem CID 155035526) has the molecular formula C58H37N3S2 and a molecular weight of 840.09 g/mol. Its IUPAC name is 5-[5-(6-dibenzothiophen-3-yl-4-naphthalen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl)naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[5-(6-dibenzothiophen-3-yl-4-naphthalen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl)naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole
PubChem CID155035526
Molecular FormulaC58H37N3S2
Molecular Weight840.09 g/mol
Exact Mass839.24
IUPAC Name5-[5-(6-dibenzothiophen-3-yl-4-naphthalen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl)naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole
SMILESc1ccc2cc(C3=NC(c4c(-n5c6ccccc6c6cc7ccccc7cc65)c5c6ccccc6sc5c5ccccc45)NC(c4ccc5c(c4)sc4ccccc45)C3)ccc2c1
InChIInChI=1S/C58H37N3S2/c1-2-14-35-29-38(26-25-34(35)13-1)47-33-48(39-27-28-42-41-18-8-11-23-51(41)62-53(42)32-39)60-58(59-47)55-43-19-5-6-20-44(43)57-54(45-21-9-12-24-52(45)63-57)56(55)61-49-22-10-7-17-40(49)46-30-36-15-3-4-16-37(36)31-50(46)61/h1-32,48,58,60H,33H2
InChIKeyIBBDUHYHFOVZBM-UHFFFAOYSA-N
XLogP16.20
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.09
LogP ≤ 516.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-(6-dibenzothiophen-3-yl-4-naphthalen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl)naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole
CID 155035540
5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole
CID 155450731
5-[3-dibenzothiophen-4-yl-4-(6-phenanthren-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole
CID 155430839
5-[4-[2,6-bis(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-2-dibenzothiophen-4-ylphenyl]benzo[b]carbazole
CID 155475191
5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[b]carbazole
CID 163771493
2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine
CID 137433804
9-[4-(3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]carbazole
CID 163869835
5-[3-dibenzothiophen-1-yl-4-[2,6-di(triphenylen-2-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155430242
10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 159682498
7-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 129224970
5-[6-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[3,2-b][1]benzofuran-11-yl]benzo[b]carbazole
CID 166699122
5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155034988

Frequently Asked Questions

What is the IUPAC name of 5-[5-(6-dibenzothiophen-3-yl-4-naphthalen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl)naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole?
The IUPAC name of 5-[5-(6-dibenzothiophen-3-yl-4-naphthalen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl)naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole (CID 155035526) is 5-[5-(6-dibenzothiophen-3-yl-4-naphthalen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl)naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[5-(6-dibenzothiophen-3-yl-4-naphthalen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl)naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole?
The canonical SMILES for 5-[5-(6-dibenzothiophen-3-yl-4-naphthalen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl)naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole is c1ccc2cc(C3=NC(c4c(-n5c6ccccc6c6cc7ccccc7cc65)c5c6ccccc6sc5c5ccccc45)NC(c4ccc5c(c4)sc4ccccc45)C3)ccc2c1.
What is the InChIKey of 5-[5-(6-dibenzothiophen-3-yl-4-naphthalen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl)naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole?
The InChIKey is IBBDUHYHFOVZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3S2/c1-2-14-35-29-38(26-25-34(35)13-1)47-33-48(39-27-28-42-41-18-8-11-23-51(41)62-53(42)32-39)60-58(59-47)55-43-19-5-6-20-44(43)57-54(45-21-9-12-24-52(45)63-57)56(55)61-49-22-10-7-17-40(49)46-30-36-15-3-4-16-37(36)31-50(46)61/h1-32,48,58,60H,33H2.
What are the key properties of 5-[5-(6-dibenzothiophen-3-yl-4-naphthalen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl)naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole?
5-[5-(6-dibenzothiophen-3-yl-4-naphthalen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl)naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole has a molecular weight of 840.09 g/mol, XLogP of 16.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(6-dibenzothiophen-3-yl-4-naphthalen-2-yl-1,2,5,6-tetrahydropyrimidin-2-yl)naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole is sourced from PubChem (CID 155035526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).