4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline

C128H82N8 — CID 158029200

IUPAC4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline
SMILESc1cc(-c2ccnc3c2ccc2c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccnc23)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc6ccccc6c5)nc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5cccc6ccccc56)nc4c3n2)cc1
InChIInChI=1S/C48H30N4.2C40H26N2/c1-5-19-43-37(15-1)38-16-2-6-20-44(38)51(43)33-13-9-11-31(29-33)35-25-27-49-47-41(35)23-24-42-36(26-28-50-48(42)47)32-12-10-14-34(30-32)52-45-21-7-3-17-39(45)40-18-4-8-22-46(40)52;1-4-13-28(14-5-1)35-25-37(30-18-8-3-9-19-30)41-39-33(35)23-24-34-36(29-15-6-2-7-16-29)26-38(42-40(34)39)32-22-12-20-27-17-10-11-21-31(27)32;1-4-13-28(14-5-1)35-25-37(30-17-8-3-9-18-30)41-39-33(35)22-23-34-36(29-15-6-2-7-16-29)26-38(42-40(34)39)32-21-20-27-12-10-11-19-31(27)24-32/h1-30H;2*1-26H
InChIKeyFGZBHHPHMVGZDE-UHFFFAOYSA-N
MW1732.12 g/mol
LogP33.52
Rot. Bonds12

About 4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline

4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline (PubChem CID 158029200) has the molecular formula C128H82N8 and a molecular weight of 1732.12 g/mol. Its IUPAC name is 4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline
PubChem CID158029200
Molecular FormulaC128H82N8
Molecular Weight1732.12 g/mol
Exact Mass1730.67
IUPAC Name4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline
SMILESc1cc(-c2ccnc3c2ccc2c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccnc23)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc6ccccc6c5)nc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5cccc6ccccc56)nc4c3n2)cc1
InChIInChI=1S/C48H30N4.2C40H26N2/c1-5-19-43-37(15-1)38-16-2-6-20-44(38)51(43)33-13-9-11-31(29-33)35-25-27-49-47-41(35)23-24-42-36(26-28-50-48(42)47)32-12-10-14-34(30-32)52-45-21-7-3-17-39(45)40-18-4-8-22-46(40)52;1-4-13-28(14-5-1)35-25-37(30-18-8-3-9-19-30)41-39-33(35)23-24-34-36(29-15-6-2-7-16-29)26-38(42-40(34)39)32-22-12-20-27-17-10-11-21-31(27)32;1-4-13-28(14-5-1)35-25-37(30-17-8-3-9-18-30)41-39-33(35)22-23-34-36(29-15-6-2-7-16-29)26-38(42-40(34)39)32-21-20-27-12-10-11-19-31(27)24-32/h1-30H;2*1-26H
InChIKeyFGZBHHPHMVGZDE-UHFFFAOYSA-N
XLogP33.52
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001732.12
LogP ≤ 533.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline with MolForge

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Related Compounds

4,7-bis(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;4-(3-carbazol-9-ylphenyl)-7-[1-(9H-fluoren-9-yl)pyridin-1-ium-3-yl]-1,10-phenanthroline;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(3-phenylphenyl)-1,10-phenanthroline;N,N-diphenyl-3-[7-[3-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline
CID 162210561
2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4,7-diphenyl-1,10-phenanthroline;2,9-bis(4-naphthalen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-4-yl]aniline
CID 158947688
9-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole;9-[4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 158118562
dimethyl(phosphanyl)phosphane;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;methane;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 165102894
5-[7-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[7-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 159513122
3-[3-[5-[5-[5-(9-phenylcarbazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[6-(9-phenylcarbazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-[6-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 159155046
9-[4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole
CID 157066444
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole
CID 160981046
2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71286952
2-(2-phenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 135143807
6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063953
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158322806

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline?
The IUPAC name of 4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline (CID 158029200) is 4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline.
What is the SMILES notation for 4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline?
The canonical SMILES for 4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline is c1cc(-c2ccnc3c2ccc2c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccnc23)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc6ccccc6c5)nc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5cccc6ccccc56)nc4c3n2)cc1.
What is the InChIKey of 4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline?
The InChIKey is FGZBHHPHMVGZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4.2C40H26N2/c1-5-19-43-37(15-1)38-16-2-6-20-44(38)51(43)33-13-9-11-31(29-33)35-25-27-49-47-41(35)23-24-42-36(26-28-50-48(42)47)32-12-10-14-34(30-32)52-45-21-7-3-17-39(45)40-18-4-8-22-46(40)52;1-4-13-28(14-5-1)35-25-37(30-18-8-3-9-19-30)41-39-33(35)23-24-34-36(29-15-6-2-7-16-29)26-38(42-40(34)39)32-22-12-20-27-17-10-11-21-31(27)32;1-4-13-28(14-5-1)35-25-37(30-17-8-3-9-18-30)41-39-33(35)22-23-34-36(29-15-6-2-7-16-29)26-38(42-40(34)39)32-21-20-27-12-10-11-19-31(27)24-32/h1-30H;2*1-26H.
What are the key properties of 4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline?
4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline has a molecular weight of 1732.12 g/mol, XLogP of 33.52, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(3-carbazol-9-ylphenyl)-1,10-phenanthroline;2-naphthalen-1-yl-4,7,9-triphenyl-1,10-phenanthroline;2-naphthalen-2-yl-4,7,9-triphenyl-1,10-phenanthroline is sourced from PubChem (CID 158029200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).