3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine

C46H29N3 — CID 58410317

IUPAC3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cnc4c3c2)cc1
InChIInChI=1S/C46H29N3/c1-3-12-30(13-4-1)32-22-24-36-37-25-23-33(31-14-5-2-6-15-31)28-41(37)46-45(40(36)27-32)47-29-42(48-46)34-16-11-17-35(26-34)49-43-20-9-7-18-38(43)39-19-8-10-21-44(39)49/h1-29H
InChIKeyVWMUPVXJSFKXLP-UHFFFAOYSA-N
MW623.76 g/mol
LogP12.03
Rot. Bonds4

About 3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine

3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine (PubChem CID 58410317) has the molecular formula C46H29N3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine
PubChem CID58410317
Molecular FormulaC46H29N3
Molecular Weight623.76 g/mol
Exact Mass623.24
IUPAC Name3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cnc4c3c2)cc1
InChIInChI=1S/C46H29N3/c1-3-12-30(13-4-1)32-22-24-36-37-25-23-33(31-14-5-2-6-15-31)28-41(37)46-45(40(36)27-32)47-29-42(48-46)34-16-11-17-35(26-34)49-43-20-9-7-18-38(43)39-19-8-10-21-44(39)49/h1-29H
InChIKeyVWMUPVXJSFKXLP-UHFFFAOYSA-N
XLogP12.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 512.03
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

6,11-diphenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 118682663
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-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-[3-[3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064112
6,11-diphenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;7,10-diphenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;2-phenyl-3-[3-[3-(9-phenylcarbazol-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 159665602
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
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-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064045
6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063953
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 3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine?
The IUPAC name of 3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine (CID 58410317) is 3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine is c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cnc4c3c2)cc1.
What is the InChIKey of 3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine?
The InChIKey is VWMUPVXJSFKXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3/c1-3-12-30(13-4-1)32-22-24-36-37-25-23-33(31-14-5-2-6-15-31)28-41(37)46-45(40(36)27-32)47-29-42(48-46)34-16-11-17-35(26-34)49-43-20-9-7-18-38(43)39-19-8-10-21-44(39)49/h1-29H.
What are the key properties of 3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine?
3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine has a molecular weight of 623.76 g/mol, XLogP of 12.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine is sourced from PubChem (CID 58410317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).