7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine

C40H25N3 — CID 88858520

IUPAC7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc2c2nccnc32)cc1
InChIInChI=1S/C40H25N3/c1-2-9-26(10-3-1)28-17-19-33-35(24-28)36-25-29(18-20-34(36)40-39(33)41-21-22-42-40)27-11-8-12-30(23-27)43-37-15-6-4-13-31(37)32-14-5-7-16-38(32)43/h1-25H
InChIKeyZMHYSJQKJNBDHY-UHFFFAOYSA-N
MW547.66 g/mol
LogP10.37
Rot. Bonds3

About 7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine

7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine (PubChem CID 88858520) has the molecular formula C40H25N3 and a molecular weight of 547.66 g/mol. Its IUPAC name is 7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
PubChem CID88858520
Molecular FormulaC40H25N3
Molecular Weight547.66 g/mol
Exact Mass547.20
IUPAC Name7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc2c2nccnc32)cc1
InChIInChI=1S/C40H25N3/c1-2-9-26(10-3-1)28-17-19-33-35(24-28)36-25-29(18-20-34(36)40-39(33)41-21-22-42-40)27-11-8-12-30(23-27)43-37-15-6-4-13-31(37)32-14-5-7-16-38(32)43/h1-25H
InChIKeyZMHYSJQKJNBDHY-UHFFFAOYSA-N
XLogP10.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 510.37
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

10-[4-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064133
10-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063815
6-[4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063849
9-[3-(7-phenyltriphenylen-2-yl)phenyl]carbazole
CID 174278174
6-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063833
9-(3-triphenylen-2-ylphenyl)carbazole
CID 88924379
3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole
CID 160984322
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
9-(3-benzo[f][1,10]phenanthrolin-7-ylphenyl)-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 71278051
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165386227

Frequently Asked Questions

What is the IUPAC name of 7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine?
The IUPAC name of 7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine (CID 88858520) is 7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine.
What is the SMILES notation for 7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine?
The canonical SMILES for 7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine is c1ccc(-c2ccc3c(c2)c2cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc2c2nccnc32)cc1.
What is the InChIKey of 7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine?
The InChIKey is ZMHYSJQKJNBDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3/c1-2-9-26(10-3-1)28-17-19-33-35(24-28)36-25-29(18-20-34(36)40-39(33)41-21-22-42-40)27-11-8-12-30(23-27)43-37-15-6-4-13-31(37)32-14-5-7-16-38(32)43/h1-25H.
What are the key properties of 7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine?
7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine has a molecular weight of 547.66 g/mol, XLogP of 10.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine is sourced from PubChem (CID 88858520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).