7,10-diphenylphenanthro[9,10-b]pyrazine;ethane

C30H24N2 — CID 143925438

IUPAC7,10-diphenylphenanthro[9,10-b]pyrazine;ethane
SMILESCC.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nccnc32)cc1
InChIInChI=1S/C28H18N2.C2H6/c1-3-7-19(8-4-1)21-11-13-23-25(17-21)26-18-22(20-9-5-2-6-10-20)12-14-24(26)28-27(23)29-15-16-30-28;1-2/h1-18H;1-2H3
InChIKeyXSWCRHQRLVFBMI-UHFFFAOYSA-N
MW412.54 g/mol
LogP8.30
Rot. Bonds2

About 7,10-diphenylphenanthro[9,10-b]pyrazine;ethane

7,10-diphenylphenanthro[9,10-b]pyrazine;ethane (PubChem CID 143925438) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 7,10-diphenylphenanthro[9,10-b]pyrazine;ethane.

Molecular Properties

Compound Name7,10-diphenylphenanthro[9,10-b]pyrazine;ethane
PubChem CID143925438
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC Name7,10-diphenylphenanthro[9,10-b]pyrazine;ethane
SMILESCC.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nccnc32)cc1
InChIInChI=1S/C28H18N2.C2H6/c1-3-7-19(8-4-1)21-11-13-23-25(17-21)26-18-22(20-9-5-2-6-10-20)12-14-24(26)28-27(23)29-15-16-30-28;1-2/h1-18H;1-2H3
InChIKeyXSWCRHQRLVFBMI-UHFFFAOYSA-N
XLogP8.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
CID 88858520
10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858651
10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 88858439
10-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063815
10-[4-(9-tert-butylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858561
6-[4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063849
10-[4-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064133
7,10-bis[3-(3-dibenzothiophen-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 168745295
7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 168745164
10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine
CID 88858573
10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine
CID 118912208
10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858541

Frequently Asked Questions

What is the IUPAC name of 7,10-diphenylphenanthro[9,10-b]pyrazine;ethane?
The IUPAC name of 7,10-diphenylphenanthro[9,10-b]pyrazine;ethane (CID 143925438) is 7,10-diphenylphenanthro[9,10-b]pyrazine;ethane.
What is the SMILES notation for 7,10-diphenylphenanthro[9,10-b]pyrazine;ethane?
The canonical SMILES for 7,10-diphenylphenanthro[9,10-b]pyrazine;ethane is CC.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nccnc32)cc1.
What is the InChIKey of 7,10-diphenylphenanthro[9,10-b]pyrazine;ethane?
The InChIKey is XSWCRHQRLVFBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2.C2H6/c1-3-7-19(8-4-1)21-11-13-23-25(17-21)26-18-22(20-9-5-2-6-10-20)12-14-24(26)28-27(23)29-15-16-30-28;1-2/h1-18H;1-2H3.
What are the key properties of 7,10-diphenylphenanthro[9,10-b]pyrazine;ethane?
7,10-diphenylphenanthro[9,10-b]pyrazine;ethane has a molecular weight of 412.54 g/mol, XLogP of 8.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diphenylphenanthro[9,10-b]pyrazine;ethane is sourced from PubChem (CID 143925438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).