3-[3-[9-[2-[3-[9-(1,10-phenanthrolin-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]carbazol-3-yl]carbazol-9-yl]-1,10-phenanthroline

C82H48N10 — CID 118259398

IUPAC3-[3-[9-[2-[3-[9-(1,10-phenanthrolin-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]carbazol-3-yl]carbazol-9-yl]-1,10-phenanthroline
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cnc6c(ccc7cccnc76)c5)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cnc6c(ccc7cccnc76)c5)ccc43)n2)cc1
InChIInChI=1S/C82H48N10/c1-2-14-49(15-3-1)68-46-77(91-71-24-10-6-20-62(71)66-44-54(32-36-75(66)91)52-30-34-73-64(42-52)60-18-4-8-22-69(60)89(73)58-40-56-28-26-50-16-12-38-83-78(50)80(56)85-47-58)88-82(87-68)92-72-25-11-7-21-63(72)67-45-55(33-37-76(67)92)53-31-35-74-65(43-53)61-19-5-9-23-70(61)90(74)59-41-57-29-27-51-17-13-39-84-79(51)81(57)86-48-59/h1-48H
InChIKeyKQXZOOQSMMQJSJ-UHFFFAOYSA-N
MW1173.36 g/mol
LogP20.06
Rot. Bonds7

About 3-[3-[9-[2-[3-[9-(1,10-phenanthrolin-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]carbazol-3-yl]carbazol-9-yl]-1,10-phenanthroline

3-[3-[9-[2-[3-[9-(1,10-phenanthrolin-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]carbazol-3-yl]carbazol-9-yl]-1,10-phenanthroline (PubChem CID 118259398) has the molecular formula C82H48N10 and a molecular weight of 1173.36 g/mol. Its IUPAC name is 3-[3-[9-[2-[3-[9-(1,10-phenanthrolin-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]carbazol-3-yl]carbazol-9-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name3-[3-[9-[2-[3-[9-(1,10-phenanthrolin-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]carbazol-3-yl]carbazol-9-yl]-1,10-phenanthroline
PubChem CID118259398
Molecular FormulaC82H48N10
Molecular Weight1173.36 g/mol
Exact Mass1172.41
IUPAC Name3-[3-[9-[2-[3-[9-(1,10-phenanthrolin-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]carbazol-3-yl]carbazol-9-yl]-1,10-phenanthroline
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cnc6c(ccc7cccnc76)c5)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cnc6c(ccc7cccnc76)c5)ccc43)n2)cc1
InChIInChI=1S/C82H48N10/c1-2-14-49(15-3-1)68-46-77(91-71-24-10-6-20-62(71)66-44-54(32-36-75(66)91)52-30-34-73-64(42-52)60-18-4-8-22-69(60)89(73)58-40-56-28-26-50-16-12-38-83-78(50)80(56)85-47-58)88-82(87-68)92-72-25-11-7-21-63(72)67-45-55(33-37-76(67)92)53-31-35-74-65(43-53)61-19-5-9-23-70(61)90(74)59-41-57-29-27-51-17-13-39-84-79(51)81(57)86-48-59/h1-48H
InChIKeyKQXZOOQSMMQJSJ-UHFFFAOYSA-N
XLogP20.06
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001173.36
LogP ≤ 520.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[3-[9-[2-[3-[9-(1,10-phenanthrolin-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]carbazol-3-yl]carbazol-9-yl]-1,10-phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[9-[2-[3-[9-(1,10-phenanthrolin-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]carbazol-3-yl]carbazol-9-yl]-1,10-phenanthroline?
The IUPAC name of 3-[3-[9-[2-[3-[9-(1,10-phenanthrolin-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]carbazol-3-yl]carbazol-9-yl]-1,10-phenanthroline (CID 118259398) is 3-[3-[9-[2-[3-[9-(1,10-phenanthrolin-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]carbazol-3-yl]carbazol-9-yl]-1,10-phenanthroline.
What is the SMILES notation for 3-[3-[9-[2-[3-[9-(1,10-phenanthrolin-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]carbazol-3-yl]carbazol-9-yl]-1,10-phenanthroline?
The canonical SMILES for 3-[3-[9-[2-[3-[9-(1,10-phenanthrolin-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]carbazol-3-yl]carbazol-9-yl]-1,10-phenanthroline is c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cnc6c(ccc7cccnc76)c5)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cnc6c(ccc7cccnc76)c5)ccc43)n2)cc1.
What is the InChIKey of 3-[3-[9-[2-[3-[9-(1,10-phenanthrolin-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]carbazol-3-yl]carbazol-9-yl]-1,10-phenanthroline?
The InChIKey is KQXZOOQSMMQJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H48N10/c1-2-14-49(15-3-1)68-46-77(91-71-24-10-6-20-62(71)66-44-54(32-36-75(66)91)52-30-34-73-64(42-52)60-18-4-8-22-69(60)89(73)58-40-56-28-26-50-16-12-38-83-78(50)80(56)85-47-58)88-82(87-68)92-72-25-11-7-21-63(72)67-45-55(33-37-76(67)92)53-31-35-74-65(43-53)61-19-5-9-23-70(61)90(74)59-41-57-29-27-51-17-13-39-84-79(51)81(57)86-48-59/h1-48H.
What are the key properties of 3-[3-[9-[2-[3-[9-(1,10-phenanthrolin-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]carbazol-3-yl]carbazol-9-yl]-1,10-phenanthroline?
3-[3-[9-[2-[3-[9-(1,10-phenanthrolin-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]carbazol-3-yl]carbazol-9-yl]-1,10-phenanthroline has a molecular weight of 1173.36 g/mol, XLogP of 20.06, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[9-[2-[3-[9-(1,10-phenanthrolin-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]carbazol-3-yl]carbazol-9-yl]-1,10-phenanthroline is sourced from PubChem (CID 118259398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).