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

C40H25N3 — CID 134559213

IUPAC7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5c6ccccc6nc6c5ccc5cccnc56)cc4)ccc32)cc1
InChIInChI=1S/C40H25N3/c1-2-10-30(11-3-1)43-36-15-7-5-12-31(36)34-25-29(21-23-37(34)43)26-16-18-27(19-17-26)38-32-13-4-6-14-35(32)42-40-33(38)22-20-28-9-8-24-41-39(28)40/h1-25H
InChIKeyAPJWTWZKELRBFE-UHFFFAOYSA-N
MW547.66 g/mol
LogP10.37
Rot. Bonds3

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

7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline (PubChem CID 134559213) has the molecular formula C40H25N3 and a molecular weight of 547.66 g/mol. Its IUPAC name is 7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline
PubChem CID134559213
Molecular FormulaC40H25N3
Molecular Weight547.66 g/mol
Exact Mass547.20
IUPAC Name7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5c6ccccc6nc6c5ccc5cccnc56)cc4)ccc32)cc1
InChIInChI=1S/C40H25N3/c1-2-10-30(11-3-1)43-36-15-7-5-12-31(36)34-25-29(21-23-37(34)43)26-16-18-27(19-17-26)38-32-13-4-6-14-35(32)42-40-33(38)22-20-28-9-8-24-41-39(28)40/h1-25H
InChIKeyAPJWTWZKELRBFE-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-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline
CID 134559444
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-[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-triphenylen-2-ylbenzo[b][1,10]phenanthroline
CID 139446092
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline
CID 139445957
7-[4-[3-(4-isocyanophenyl)carbazol-9-yl]phenyl]benzo[c]acridine
CID 155601796
8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118487708
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole
CID 164797310
2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline
CID 118403847
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559451

Frequently Asked Questions

What is the IUPAC name of 7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline?
The IUPAC name of 7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline (CID 134559213) is 7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline.
What is the SMILES notation for 7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline?
The canonical SMILES for 7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5c6ccccc6nc6c5ccc5cccnc56)cc4)ccc32)cc1.
What is the InChIKey of 7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline?
The InChIKey is APJWTWZKELRBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3/c1-2-10-30(11-3-1)43-36-15-7-5-12-31(36)34-25-29(21-23-37(34)43)26-16-18-27(19-17-26)38-32-13-4-6-14-35(32)42-40-33(38)22-20-28-9-8-24-41-39(28)40/h1-25H.
What are the key properties of 7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline?
7-[4-(9-phenylcarbazol-3-yl)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-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline is sourced from PubChem (CID 134559213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).