10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline

C50H30N2S — CID 146300783

IUPAC10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline
SMILESc1ccc(-c2cc(-c3cccc4ccc5cccnc5c34)c3sc4c(-c5cccc6ccc7cccnc7c56)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C50H30N2S/c1-3-11-31(12-4-1)37-27-41(39-19-7-15-33-21-23-35-17-9-25-51-47(35)45(33)39)49-43(29-37)44-30-38(32-13-5-2-6-14-32)28-42(50(44)53-49)40-20-8-16-34-22-24-36-18-10-26-52-48(36)46(34)40/h1-30H
InChIKeyBOCPCOXQFYWLGY-UHFFFAOYSA-N
MW690.87 g/mol
LogP14.13
Rot. Bonds4

About 10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline

10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline (PubChem CID 146300783) has the molecular formula C50H30N2S and a molecular weight of 690.87 g/mol. Its IUPAC name is 10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline.

Molecular Properties

Compound Name10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline
PubChem CID146300783
Molecular FormulaC50H30N2S
Molecular Weight690.87 g/mol
Exact Mass690.21
IUPAC Name10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline
SMILESc1ccc(-c2cc(-c3cccc4ccc5cccnc5c34)c3sc4c(-c5cccc6ccc7cccnc7c56)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C50H30N2S/c1-3-11-31(12-4-1)37-27-41(39-19-7-15-33-21-23-35-17-9-25-51-47(35)45(33)39)49-43(29-37)44-30-38(32-13-5-2-6-14-32)28-42(50(44)53-49)40-20-8-16-34-22-24-36-18-10-26-52-48(36)46(34)40/h1-30H
InChIKeyBOCPCOXQFYWLGY-UHFFFAOYSA-N
XLogP14.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.87
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-(6-phenyldibenzothiophen-4-yl)benzo[h]quinoline
CID 146300857
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025
9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[h]quinoline
CID 154949556
10-(8-bromo-1-phenyldibenzothiophen-2-yl)benzo[h]quinoline
CID 146300818
10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline
CID 146301042
10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline
CID 146301174
10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline
CID 20606784
N-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 118003274
9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline
CID 89342073
8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394581
10-[3-(4,6-diphenyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858592
8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 163900129

Frequently Asked Questions

What is the IUPAC name of 10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline?
The IUPAC name of 10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline (CID 146300783) is 10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline.
What is the SMILES notation for 10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline?
The canonical SMILES for 10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline is c1ccc(-c2cc(-c3cccc4ccc5cccnc5c34)c3sc4c(-c5cccc6ccc7cccnc7c56)cc(-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline?
The InChIKey is BOCPCOXQFYWLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2S/c1-3-11-31(12-4-1)37-27-41(39-19-7-15-33-21-23-35-17-9-25-51-47(35)45(33)39)49-43(29-37)44-30-38(32-13-5-2-6-14-32)28-42(50(44)53-49)40-20-8-16-34-22-24-36-18-10-26-52-48(36)46(34)40/h1-30H.
What are the key properties of 10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline?
10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline has a molecular weight of 690.87 g/mol, XLogP of 14.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline is sourced from PubChem (CID 146300783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).