7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline

C40H25N3 — CID 134559444

IUPAC7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline
SMILESc1cc(-c2ccc(-c3c4ccccc4nc4c3ccc3cccnc34)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C40H25N3/c1-4-15-35-33(14-1)38(34-23-22-28-10-8-24-41-39(28)40(34)42-35)27-20-18-26(19-21-27)29-9-7-11-30(25-29)43-36-16-5-2-12-31(36)32-13-3-6-17-37(32)43/h1-25H
InChIKeyQUQFUUSFGHKOLB-UHFFFAOYSA-N
MW547.66 g/mol
LogP10.37
Rot. Bonds3

About 7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline

7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline (PubChem CID 134559444) has the molecular formula C40H25N3 and a molecular weight of 547.66 g/mol. Its IUPAC name is 7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline
PubChem CID134559444
Molecular FormulaC40H25N3
Molecular Weight547.66 g/mol
Exact Mass547.20
IUPAC Name7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline
SMILESc1cc(-c2ccc(-c3c4ccccc4nc4c3ccc3cccnc34)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C40H25N3/c1-4-15-35-33(14-1)38(34-23-22-28-10-8-24-41-39(28)40(34)42-35)27-20-18-26(19-21-27)29-9-7-11-30(25-29)43-36-16-5-2-12-31(36)32-13-3-6-17-37(32)43/h1-25H
InChIKeyQUQFUUSFGHKOLB-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_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559213
7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 160969507
7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline
CID 139445756
7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline
CID 164978520
7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline
CID 139445957
7-triphenylen-2-ylbenzo[b][1,10]phenanthroline
CID 139446092
10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline
CID 118003234
7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559451
7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
CID 88858520
3-[4-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;2-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 159402578
2-[7-(1,10-phenanthrolin-2-yl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445963
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

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline?
The IUPAC name of 7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline (CID 134559444) is 7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline.
What is the SMILES notation for 7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline?
The canonical SMILES for 7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline is c1cc(-c2ccc(-c3c4ccccc4nc4c3ccc3cccnc34)cc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline?
The InChIKey is QUQFUUSFGHKOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3/c1-4-15-35-33(14-1)38(34-23-22-28-10-8-24-41-39(28)40(34)42-35)27-20-18-26(19-21-27)29-9-7-11-30(25-29)43-36-16-5-2-12-31(36)32-13-3-6-17-37(32)43/h1-25H.
What are the key properties of 7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline?
7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline 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-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline is sourced from PubChem (CID 134559444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).