7,10-diphenyl-3-[4-[3-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine

C64H43N3 — CID 129075632

IUPAC7,10-diphenyl-3-[4-[3-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESC1=CC2c3cc(-c4ccc(-c5cccc(-c6ccc(-c7cnc8c9ccc(-c%10ccccc%10)cc9c9cc(-c%10ccccc%10)ccc9c8n7)cc6)c5)cc4)ccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C64H43N3/c1-4-13-42(14-5-1)50-31-34-55-57(38-50)58-39-51(43-15-6-2-7-16-43)32-35-56(58)64-63(55)65-41-60(66-64)47-29-27-45(28-30-47)49-18-12-17-48(37-49)44-23-25-46(26-24-44)52-33-36-62-59(40-52)54-21-10-11-22-61(54)67(62)53-19-8-3-9-20-53/h1-41,54,61H
InChIKeySYHWJOSTMBXVBL-UHFFFAOYSA-N
MW854.07 g/mol
LogP16.67
Rot. Bonds7

About 7,10-diphenyl-3-[4-[3-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine

7,10-diphenyl-3-[4-[3-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 129075632) has the molecular formula C64H43N3 and a molecular weight of 854.07 g/mol. Its IUPAC name is 7,10-diphenyl-3-[4-[3-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name7,10-diphenyl-3-[4-[3-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID129075632
Molecular FormulaC64H43N3
Molecular Weight854.07 g/mol
Exact Mass853.35
IUPAC Name7,10-diphenyl-3-[4-[3-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESC1=CC2c3cc(-c4ccc(-c5cccc(-c6ccc(-c7cnc8c9ccc(-c%10ccccc%10)cc9c9cc(-c%10ccccc%10)ccc9c8n7)cc6)c5)cc4)ccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C64H43N3/c1-4-13-42(14-5-1)50-31-34-55-57(38-50)58-39-51(43-15-6-2-7-16-43)32-35-56(58)64-63(55)65-41-60(66-64)47-29-27-45(28-30-47)49-18-12-17-48(37-49)44-23-25-46(26-24-44)52-33-36-62-59(40-52)54-21-10-11-22-61(54)67(62)53-19-8-3-9-20-53/h1-41,54,61H
InChIKeySYHWJOSTMBXVBL-UHFFFAOYSA-N
XLogP16.67
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.07
LogP ≤ 516.67
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-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
9-phenyl-3-[9-(4-pyridin-3-ylphenyl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 129074552
9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole
CID 118490775
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
10-(3-carbazol-9-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-carbazol-9-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
CID 160827133
2-[2-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 144920517
3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063610
3-[4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063751
3-[4-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063891

Frequently Asked Questions

What is the IUPAC name of 7,10-diphenyl-3-[4-[3-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 7,10-diphenyl-3-[4-[3-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine (CID 129075632) is 7,10-diphenyl-3-[4-[3-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 7,10-diphenyl-3-[4-[3-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 7,10-diphenyl-3-[4-[3-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine is C1=CC2c3cc(-c4ccc(-c5cccc(-c6ccc(-c7cnc8c9ccc(-c%10ccccc%10)cc9c9cc(-c%10ccccc%10)ccc9c8n7)cc6)c5)cc4)ccc3N(c3ccccc3)C2C=C1.
What is the InChIKey of 7,10-diphenyl-3-[4-[3-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is SYHWJOSTMBXVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N3/c1-4-13-42(14-5-1)50-31-34-55-57(38-50)58-39-51(43-15-6-2-7-16-43)32-35-56(58)64-63(55)65-41-60(66-64)47-29-27-45(28-30-47)49-18-12-17-48(37-49)44-23-25-46(26-24-44)52-33-36-62-59(40-52)54-21-10-11-22-61(54)67(62)53-19-8-3-9-20-53/h1-41,54,61H.
What are the key properties of 7,10-diphenyl-3-[4-[3-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?
7,10-diphenyl-3-[4-[3-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 854.07 g/mol, XLogP of 16.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diphenyl-3-[4-[3-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129075632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).