7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine

C42H37N3 — CID 58410204

IUPAC7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1c1nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cnc21
InChIInChI=1S/C42H37N3/c1-41(2,3)27-18-20-32-34(23-27)35-24-28(42(4,5)6)19-21-33(35)40-39(32)43-25-36(44-40)26-12-11-13-29(22-26)45-37-16-9-7-14-30(37)31-15-8-10-17-38(31)45/h7-25H,1-6H3
InChIKeyYVRNRGRBDOQGGF-UHFFFAOYSA-N
MW583.78 g/mol
LogP11.30
Rot. Bonds2

About 7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine

7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine (PubChem CID 58410204) has the molecular formula C42H37N3 and a molecular weight of 583.78 g/mol. Its IUPAC name is 7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine
PubChem CID58410204
Molecular FormulaC42H37N3
Molecular Weight583.78 g/mol
Exact Mass583.30
IUPAC Name7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1c1nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cnc21
InChIInChI=1S/C42H37N3/c1-41(2,3)27-18-20-32-34(23-27)35-24-28(42(4,5)6)19-21-33(35)40-39(32)43-25-36(44-40)26-12-11-13-29(22-26)45-37-16-9-7-14-30(37)31-15-8-10-17-38(31)45/h7-25H,1-6H3
InChIKeyYVRNRGRBDOQGGF-UHFFFAOYSA-N
XLogP11.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.78
LogP ≤ 511.30
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-[3,5-bis(3-tert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89475598
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-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine
CID 58410317
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-[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
6,11-diphenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 118682663
3-(3-carbazol-9-ylphenyl)-7,10-bis(4-phenylphenyl)phenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-bis(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-dinaphthalen-1-ylphenanthro[9,10-b]pyrazine;3-(3-carbazol-9-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine;7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine
CID 157226450
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
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
3-[3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 118682647

Frequently Asked Questions

What is the IUPAC name of 7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine (CID 58410204) is 7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1c1nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cnc21.
What is the InChIKey of 7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine?
The InChIKey is YVRNRGRBDOQGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37N3/c1-41(2,3)27-18-20-32-34(23-27)35-24-28(42(4,5)6)19-21-33(35)40-39(32)43-25-36(44-40)26-12-11-13-29(22-26)45-37-16-9-7-14-30(37)31-15-8-10-17-38(31)45/h7-25H,1-6H3.
What are the key properties of 7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine?
7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine has a molecular weight of 583.78 g/mol, XLogP of 11.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-ditert-butyl-3-(3-carbazol-9-ylphenyl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 58410204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).