3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine

C41H27N3 — CID 58410265

IUPAC3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1ccc2c(c1)c1cc(-c3cccc(-c4cnc5c6ccccc6c6ccccc6c5n4)c3)ccc1n2-c1ccccc1
InChIInChI=1S/C41H27N3/c1-26-18-20-38-35(22-26)36-24-28(19-21-39(36)44(38)30-12-3-2-4-13-30)27-10-9-11-29(23-27)37-25-42-40-33-16-7-5-14-31(33)32-15-6-8-17-34(32)41(40)43-37/h2-25H,1H3
InChIKeyDLCUCCYHSIFWQW-UHFFFAOYSA-N
MW561.69 g/mol
LogP10.68
Rot. Bonds3

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

3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 58410265) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID58410265
Molecular FormulaC41H27N3
Molecular Weight561.69 g/mol
Exact Mass561.22
IUPAC Name3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1ccc2c(c1)c1cc(-c3cccc(-c4cnc5c6ccccc6c6ccccc6c5n4)c3)ccc1n2-c1ccccc1
InChIInChI=1S/C41H27N3/c1-26-18-20-38-35(22-26)36-24-28(19-21-39(36)44(38)30-12-3-2-4-13-30)27-10-9-11-29(23-27)37-25-42-40-33-16-7-5-14-31(33)32-15-6-8-17-34(32)41(40)43-37/h2-25H,1H3
InChIKeyDLCUCCYHSIFWQW-UHFFFAOYSA-N
XLogP10.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 510.68
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-[3-[3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064112
3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064106
3-[3-[6-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063863
3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 159743205
3-[4-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063891
3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063733
3-[3-[3-[3-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[4-[3-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 159869476
3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 160635816
6,11-diphenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 118682663
3-[4-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063888
3-[3-[4-[3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063944
6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063953

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 58410265) is 3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine is Cc1ccc2c(c1)c1cc(-c3cccc(-c4cnc5c6ccccc6c6ccccc6c5n4)c3)ccc1n2-c1ccccc1.
What is the InChIKey of 3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is DLCUCCYHSIFWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-26-18-20-38-35(22-26)36-24-28(19-21-39(36)44(38)30-12-3-2-4-13-30)27-10-9-11-29(23-27)37-25-42-40-33-16-7-5-14-31(33)32-15-6-8-17-34(32)41(40)43-37/h2-25H,1H3.
What are the key properties of 3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine?
3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 561.69 g/mol, XLogP of 10.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 58410265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).