10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine

C46H31N5O — CID 171769293

IUPAC10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine
SMILESCc1cccc2c3cccc(C)c3n(-c3ccnc(-n4c5ccccc5c5ccc(Oc6ccc7c8ccccc8c8ccnn8c7c6)cc54)c3)c12
InChIInChI=1S/C46H31N5O/c1-28-9-7-14-38-39-15-8-10-29(2)46(39)49(45(28)38)30-21-23-47-44(25-30)50-40-16-6-5-13-35(40)37-20-18-31(26-42(37)50)52-32-17-19-36-33-11-3-4-12-34(33)41-22-24-48-51(41)43(36)27-32/h3-27H,1-2H3
InChIKeyXSGWIYHZQVKOBB-UHFFFAOYSA-N
MW669.79 g/mol
LogP11.64
Rot. Bonds4

About 10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine

10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine (PubChem CID 171769293) has the molecular formula C46H31N5O and a molecular weight of 669.79 g/mol. Its IUPAC name is 10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine.

Molecular Properties

Compound Name10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine
PubChem CID171769293
Molecular FormulaC46H31N5O
Molecular Weight669.79 g/mol
Exact Mass669.25
IUPAC Name10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine
SMILESCc1cccc2c3cccc(C)c3n(-c3ccnc(-n4c5ccccc5c5ccc(Oc6ccc7c8ccccc8c8ccnn8c7c6)cc54)c3)c12
InChIInChI=1S/C46H31N5O/c1-28-9-7-14-38-39-15-8-10-29(2)46(39)49(45(28)38)30-21-23-47-44(25-30)50-40-16-6-5-13-35(40)37-20-18-31(26-42(37)50)52-32-17-19-36-33-11-3-4-12-34(33)41-22-24-48-51(41)43(36)27-32/h3-27H,1-2H3
InChIKeyXSGWIYHZQVKOBB-UHFFFAOYSA-N
XLogP11.64
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.79
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-[2-[2-[3-(benzimidazol-1-yl)-5-tert-butylphenoxy]carbazol-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole
CID 171769181
1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769380
1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769151
1,8-dimethyl-9-[2-[2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769115
10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole
CID 140955412
1,8-bis(2-deuteriopropan-2-yl)-2,7-dimethyl-9-[2-[2-[3-methyl-5-(4-methyl-2-pyridinyl)phenoxy]carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769533
9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+)
CID 171769127
1,8-dimethyl-9-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+)
CID 171769510
6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine
CID 153411413
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
3-(2-methylphenyl)-11-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]oxy-[1,2,4]triazolo[4,3-f]phenanthridine
CID 153411411
6-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-11-methyltetrazolo[1,5-f]phenanthridine
CID 153411451

Frequently Asked Questions

What is the IUPAC name of 10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine?
The IUPAC name of 10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine (CID 171769293) is 10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine.
What is the SMILES notation for 10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine?
The canonical SMILES for 10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine is Cc1cccc2c3cccc(C)c3n(-c3ccnc(-n4c5ccccc5c5ccc(Oc6ccc7c8ccccc8c8ccnn8c7c6)cc54)c3)c12.
What is the InChIKey of 10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine?
The InChIKey is XSGWIYHZQVKOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N5O/c1-28-9-7-14-38-39-15-8-10-29(2)46(39)49(45(28)38)30-21-23-47-44(25-30)50-40-16-6-5-13-35(40)37-20-18-31(26-42(37)50)52-32-17-19-36-33-11-3-4-12-34(33)41-22-24-48-51(41)43(36)27-32/h3-27H,1-2H3.
What are the key properties of 10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine?
10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine has a molecular weight of 669.79 g/mol, XLogP of 11.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine is sourced from PubChem (CID 171769293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).