10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine

C33H19N3 — CID 135127404

IUPAC10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)c1ccccc1c1cc(-c3ccc4c(c3)c3ccccc3c3nccnc43)ncc21
InChIInChI=1S/C33H19N3/c1-3-9-23-21(7-1)22-8-2-4-10-24(22)30-19-36-31(18-29(23)30)20-13-14-27-28(17-20)25-11-5-6-12-26(25)32-33(27)35-16-15-34-32/h1-19H
InChIKeyWDASBFDNJJWFJL-UHFFFAOYSA-N
MW457.54 g/mol
LogP8.46
Rot. Bonds1

About 10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine

10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine (PubChem CID 135127404) has the molecular formula C33H19N3 and a molecular weight of 457.54 g/mol. Its IUPAC name is 10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine
PubChem CID135127404
Molecular FormulaC33H19N3
Molecular Weight457.54 g/mol
Exact Mass457.16
IUPAC Name10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)c1ccccc1c1cc(-c3ccc4c(c3)c3ccccc3c3nccnc43)ncc21
InChIInChI=1S/C33H19N3/c1-3-9-23-21(7-1)22-8-2-4-10-24(22)30-19-36-31(18-29(23)30)20-13-14-27-28(17-20)25-11-5-6-12-26(25)32-33(27)35-16-15-34-32/h1-19H
InChIKeyWDASBFDNJJWFJL-UHFFFAOYSA-N
XLogP8.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.54
LogP ≤ 58.46
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

3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine
CID 59575305
3-(4-phenylphenyl)phenanthro[9,10-c]pyridine
CID 59575272
3-[3-(3-phenanthro[9,10-c]pyridin-3-ylphenyl)phenyl]phenanthro[9,10-c]pyridine
CID 59575267
7,10-diphenylphenanthro[9,10-b]pyrazine;ethane
CID 143925438
iridium(3+);bis(phenanthro[9,10-b]pyrazine)
CID 160728362
3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-c]pyridine
CID 71733892
10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858561
10-chlorophenanthro[9,10-b]pyrazine
CID 121296750
10-bromophenanthro[9,10-b]pyrazine
CID 58224572
4-(3-triphenylen-2-ylphenyl)-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 158630477
10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine
CID 88858573
10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine
CID 88858623

Frequently Asked Questions

What is the IUPAC name of 10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine?
The IUPAC name of 10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine (CID 135127404) is 10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine is c1ccc2c(c1)c1ccccc1c1cc(-c3ccc4c(c3)c3ccccc3c3nccnc43)ncc21.
What is the InChIKey of 10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine?
The InChIKey is WDASBFDNJJWFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19N3/c1-3-9-23-21(7-1)22-8-2-4-10-24(22)30-19-36-31(18-29(23)30)20-13-14-27-28(17-20)25-11-5-6-12-26(25)32-33(27)35-16-15-34-32/h1-19H.
What are the key properties of 10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine?
10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine has a molecular weight of 457.54 g/mol, XLogP of 8.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenanthro[9,10-c]pyridin-3-ylphenanthro[9,10-b]pyrazine is sourced from PubChem (CID 135127404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).