3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine

C37H26N2 — CID 118474143

IUPAC3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cnc5c6ccccc6c6ccccc6c5n4)cc3)cc21
InChIInChI=1S/C37H26N2/c1-37(2)32-14-8-7-11-28(32)29-20-19-25(21-33(29)37)23-15-17-24(18-16-23)34-22-38-35-30-12-5-3-9-26(30)27-10-4-6-13-31(27)36(35)39-34/h3-22H,1-2H3
InChIKeyMOJQUOJZVWFTSK-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.58
Rot. Bonds2

About 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine

3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 118474143) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID118474143
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cnc5c6ccccc6c6ccccc6c5n4)cc3)cc21
InChIInChI=1S/C37H26N2/c1-37(2)32-14-8-7-11-28(32)29-20-19-25(21-33(29)37)23-15-17-24(18-16-23)34-22-38-35-30-12-5-3-9-26(30)27-10-4-6-13-31(27)36(35)39-34/h3-22H,1-2H3
InChIKeyMOJQUOJZVWFTSK-UHFFFAOYSA-N
XLogP9.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.58
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

3-[4-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 118476850
9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine
CID 175703118
3-[4-[4-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063218
3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-pyridinyl]-5-phenanthren-9-ylphenyl]phenanthro[9,10-b]pyrazine
CID 176622537
3-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063906
3-[4-[7-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063570
3-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine
CID 58410373
3-[7-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063517
3-[7-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9H-fluoren-2-yl]phenanthro[9,10-b]pyrazine;3-[2-[2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 158963630
3-[9,9-dimethyl-7-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129064197
3-[3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 129063368
3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[9,9-dimethyl-7-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)fluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 158509894

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 118474143) is 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cnc5c6ccccc6c6ccccc6c5n4)cc3)cc21.
What is the InChIKey of 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is MOJQUOJZVWFTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-37(2)32-14-8-7-11-28(32)29-20-19-25(21-33(29)37)23-15-17-24(18-16-23)34-22-38-35-30-12-5-3-9-26(30)27-10-4-6-13-31(27)36(35)39-34/h3-22H,1-2H3.
What are the key properties of 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 498.63 g/mol, XLogP of 9.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 118474143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).