3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine

C36H25N3 — CID 58410384

IUPAC3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1-c1cnc2c3ccccc3c3ccccc3c2n1
InChIInChI=1S/C36H25N3/c1-22-15-17-33-29(19-22)30-20-23(2)16-18-34(30)39(33)32-14-8-7-13-28(32)31-21-37-35-26-11-5-3-9-24(26)25-10-4-6-12-27(25)36(35)38-31/h3-21H,1-2H3
InChIKeyRHCVSOJMAONPFX-UHFFFAOYSA-N
MW499.62 g/mol
LogP9.32
Rot. Bonds2

About 3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine

3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 58410384) has the molecular formula C36H25N3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID58410384
Molecular FormulaC36H25N3
Molecular Weight499.62 g/mol
Exact Mass499.20
IUPAC Name3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1-c1cnc2c3ccccc3c3ccccc3c2n1
InChIInChI=1S/C36H25N3/c1-22-15-17-33-29(19-22)30-20-23(2)16-18-34(30)39(33)32-14-8-7-13-28(32)31-21-37-35-26-11-5-3-9-24(26)25-10-4-6-12-27(25)36(35)38-31/h3-21H,1-2H3
InChIKeyRHCVSOJMAONPFX-UHFFFAOYSA-N
XLogP9.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 59.32
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-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[2-(3-methylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[2-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 161064637
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 58410265
3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89475591
3-[3-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063643
3-[3-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063802
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole
CID 138393255
7,10-dimethyl-3-[2-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88906000
3-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 58410211
3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064038

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 58410384) is 3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1-c1cnc2c3ccccc3c3ccccc3c2n1.
What is the InChIKey of 3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is RHCVSOJMAONPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3/c1-22-15-17-33-29(19-22)30-20-23(2)16-18-34(30)39(33)32-14-8-7-13-28(32)31-21-37-35-26-11-5-3-9-24(26)25-10-4-6-12-27(25)36(35)38-31/h3-21H,1-2H3.
What are the key properties of 3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine?
3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 499.62 g/mol, XLogP of 9.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 58410384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).