7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine

C68H42N2 — CID 168745164

IUPAC7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2cccc(-c3cccc4c3ccc3ccccc34)c2)cc(-c2ccc3c(c2)c2cc(-c4cccc(-c5cccc(-c6cccc7c6ccc6ccccc67)c5)c4)ccc2c2nccnc32)c1
InChIInChI=1S/C68H42N2/c1-3-21-55-43(11-1)27-31-61-57(23-9-25-59(55)61)53-19-7-17-49(39-53)45-13-5-15-47(37-45)51-29-33-63-65(41-51)66-42-52(30-34-64(66)68-67(63)69-35-36-70-68)48-16-6-14-46(38-48)50-18-8-20-54(40-50)58-24-10-26-60-56-22-4-2-12-44(56)28-32-62(58)60/h1-42H
InChIKeyVOCNCDZQQJHLOD-UHFFFAOYSA-N
MW887.10 g/mol
LogP18.55
Rot. Bonds6

About 7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine

7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 168745164) has the molecular formula C68H42N2 and a molecular weight of 887.10 g/mol. Its IUPAC name is 7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID168745164
Molecular FormulaC68H42N2
Molecular Weight887.10 g/mol
Exact Mass886.33
IUPAC Name7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2cccc(-c3cccc4c3ccc3ccccc34)c2)cc(-c2ccc3c(c2)c2cc(-c4cccc(-c5cccc(-c6cccc7c6ccc6ccccc67)c5)c4)ccc2c2nccnc32)c1
InChIInChI=1S/C68H42N2/c1-3-21-55-43(11-1)27-31-61-57(23-9-25-59(55)61)53-19-7-17-49(39-53)45-13-5-15-47(37-45)51-29-33-63-65(41-51)66-42-52(30-34-64(66)68-67(63)69-35-36-70-68)48-16-6-14-46(38-48)50-18-8-20-54(40-50)58-24-10-26-60-56-22-4-2-12-44(56)28-32-62(58)60/h1-42H
InChIKeyVOCNCDZQQJHLOD-UHFFFAOYSA-N
XLogP18.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.10
LogP ≤ 518.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063662
6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene
CID 140792190
10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 88858439
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858424
8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline
CID 167027860
7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
10-[3-[3-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063859
bis(10-[3-(6-tert-butyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyrazine);10-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 158090279
4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline
CID 168853179
6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline
CID 121287344
3-[3,8-bis(3-quinolin-6-ylphenyl)phenanthren-1-yl]-8-[3-[1-(3-quinolin-8-ylphenyl)phenanthren-3-yl]phenyl]quinoline
CID 137458731
6-[3-[3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063415

Frequently Asked Questions

What is the IUPAC name of 7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine (CID 168745164) is 7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine is c1cc(-c2cccc(-c3cccc4c3ccc3ccccc34)c2)cc(-c2ccc3c(c2)c2cc(-c4cccc(-c5cccc(-c6cccc7c6ccc6ccccc67)c5)c4)ccc2c2nccnc32)c1.
What is the InChIKey of 7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is VOCNCDZQQJHLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N2/c1-3-21-55-43(11-1)27-31-61-57(23-9-25-59(55)61)53-19-7-17-49(39-53)45-13-5-15-47(37-45)51-29-33-63-65(41-51)66-42-52(30-34-64(66)68-67(63)69-35-36-70-68)48-16-6-14-46(38-48)50-18-8-20-54(40-50)58-24-10-26-60-56-22-4-2-12-44(56)28-32-62(58)60/h1-42H.
What are the key properties of 7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 887.10 g/mol, XLogP of 18.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 168745164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).