7,10-bis[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine

C70H50N2 — CID 168745356

IUPAC7,10-bis[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc(-c5ccc6c(c5)c5cc(-c7cccc(-c8cccc(-c9cccc%10c9-c9ccccc9C%10(C)C)c8)c7)ccc5c5nccnc65)c4)c3)cccc21
InChIInChI=1S/C70H50N2/c1-69(2)61-27-7-5-23-57(61)65-53(25-13-29-63(65)69)51-21-11-19-47(39-51)43-15-9-17-45(37-43)49-31-33-55-59(41-49)60-42-50(32-34-56(60)68-67(55)71-35-36-72-68)46-18-10-16-44(38-46)48-20-12-22-52(40-48)54-26-14-30-64-66(54)58-24-6-8-28-62(58)70(64,3)4/h5-42H,1-4H3
InChIKeyCVNSWAZIAVQFFV-UHFFFAOYSA-N
MW919.18 g/mol
LogP18.55
Rot. Bonds6

About 7,10-bis[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine

7,10-bis[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 168745356) has the molecular formula C70H50N2 and a molecular weight of 919.18 g/mol. Its IUPAC name is 7,10-bis[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name7,10-bis[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID168745356
Molecular FormulaC70H50N2
Molecular Weight919.18 g/mol
Exact Mass918.40
IUPAC Name7,10-bis[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc(-c5ccc6c(c5)c5cc(-c7cccc(-c8cccc(-c9cccc%10c9-c9ccccc9C%10(C)C)c8)c7)ccc5c5nccnc65)c4)c3)cccc21
InChIInChI=1S/C70H50N2/c1-69(2)61-27-7-5-23-57(61)65-53(25-13-29-63(65)69)51-21-11-19-47(39-51)43-15-9-17-45(37-43)49-31-33-55-59(41-49)60-42-50(32-34-56(60)68-67(55)71-35-36-72-68)46-18-10-16-44(38-46)48-20-12-22-52(40-48)54-26-14-30-64-66(54)58-24-6-8-28-62(58)70(64,3)4/h5-42H,1-4H3
InChIKeyCVNSWAZIAVQFFV-UHFFFAOYSA-N
XLogP18.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.18
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'}

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Frequently Asked Questions

What is the IUPAC name of 7,10-bis[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 7,10-bis[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (CID 168745356) is 7,10-bis[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 7,10-bis[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 7,10-bis[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is CC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc(-c5ccc6c(c5)c5cc(-c7cccc(-c8cccc(-c9cccc%10c9-c9ccccc9C%10(C)C)c8)c7)ccc5c5nccnc65)c4)c3)cccc21.
What is the InChIKey of 7,10-bis[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is CVNSWAZIAVQFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N2/c1-69(2)61-27-7-5-23-57(61)65-53(25-13-29-63(65)69)51-21-11-19-47(39-51)43-15-9-17-45(37-43)49-31-33-55-59(41-49)60-42-50(32-34-56(60)68-67(55)71-35-36-72-68)46-18-10-16-44(38-46)48-20-12-22-52(40-48)54-26-14-30-64-66(54)58-24-6-8-28-62(58)70(64,3)4/h5-42H,1-4H3.
What are the key properties of 7,10-bis[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
7,10-bis[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 919.18 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-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 168745356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).