7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine

C88H60N8 — CID 160707890

IUPAC7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine
SMILESCc1c2c(-c3ccc(-c4ccccn4)cc3)nc3ccccc3c2c(C)c2c(-c3ccc(-c4ccccn4)cc3)nc3ccccc3c12.Cc1c2c(-c3ccc(-c4cccnc4)cc3)nc3ccccc3c2c(C)c2c(-c3ccc(-c4cccnc4)cc3)nc3ccccc3c12
InChIInChI=1S/2C44H30N4/c1-27-39-33-11-3-5-15-37(33)48-44(32-23-19-30(20-24-32)36-14-8-10-26-46-36)42(39)28(2)40-34-12-4-6-16-38(34)47-43(41(27)40)31-21-17-29(18-22-31)35-13-7-9-25-45-35;1-27-39-35-11-3-5-13-37(35)48-44(32-21-17-30(18-22-32)34-10-8-24-46-26-34)42(39)28(2)40-36-12-4-6-14-38(36)47-43(41(27)40)31-19-15-29(16-20-31)33-9-7-23-45-25-33/h2*3-26H,1-2H3
InChIKeyRRLVMLDUNVEORD-UHFFFAOYSA-N
MW1229.50 g/mol
LogP22.33
Rot. Bonds8

About 7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine

7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine (PubChem CID 160707890) has the molecular formula C88H60N8 and a molecular weight of 1229.50 g/mol. Its IUPAC name is 7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine.

Molecular Properties

Compound Name7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine
PubChem CID160707890
Molecular FormulaC88H60N8
Molecular Weight1229.50 g/mol
Exact Mass1228.49
IUPAC Name7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine
SMILESCc1c2c(-c3ccc(-c4ccccn4)cc3)nc3ccccc3c2c(C)c2c(-c3ccc(-c4ccccn4)cc3)nc3ccccc3c12.Cc1c2c(-c3ccc(-c4cccnc4)cc3)nc3ccccc3c2c(C)c2c(-c3ccc(-c4cccnc4)cc3)nc3ccccc3c12
InChIInChI=1S/2C44H30N4/c1-27-39-33-11-3-5-15-37(33)48-44(32-23-19-30(20-24-32)36-14-8-10-26-46-36)42(39)28(2)40-34-12-4-6-16-38(34)47-43(41(27)40)31-21-17-29(18-22-31)35-13-7-9-25-45-35;1-27-39-35-11-3-5-13-37(35)48-44(32-21-17-30(18-22-32)34-10-8-24-46-26-34)42(39)28(2)40-36-12-4-6-14-38(36)47-43(41(27)40)31-19-15-29(16-20-31)33-9-7-23-45-25-33/h2*3-26H,1-2H3
InChIKeyRRLVMLDUNVEORD-UHFFFAOYSA-N
XLogP22.33
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001229.50
LogP ≤ 522.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine with MolForge

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Related Compounds

3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
CID 134591983
7,14-dimethyl-6,13-bis(4-pyridin-4-ylphenyl)quinolino[4,3-j]phenanthridine
CID 134595926
3-(3,5-dipyridin-3-ylphenyl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134595971
22-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-6,9,21-triazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 129303447
2-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568854
7,14-dimethyl-6,13-diphenyl-3-(5-pyridin-2-yl-3-pyridinyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-diphenyl-3-(5-pyridin-4-yl-3-pyridinyl)quinolino[4,3-j]phenanthridine;4-[5-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-3-pyridinyl]benzonitrile;4-[6-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-2-pyridinyl]benzonitrile
CID 159706674
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,14-dimethyl-6,13-dipyridin-3-ylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,14-dimethyl-6,13-dipyridin-3-ylquinolino[4,3-j]phenanthridine;bis(3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-dipyridin-3-ylquinolino[4,3-j]phenanthridine)
CID 159152596
(1Z,3E)-4-[4-[7,14-dimethyl-6-(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridin-13-yl]phenyl]hexa-1,3,5-trien-1-amine
CID 163893350
7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine
CID 134595966
22-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,21-diazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaene;22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,21-diazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;22-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-6,21-diazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaene
CID 159757450
22-[3-(4-pyridin-2-ylphenyl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474705
2-methyl-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-methyl-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 162225760

Frequently Asked Questions

What is the IUPAC name of 7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine?
The IUPAC name of 7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine (CID 160707890) is 7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine.
What is the SMILES notation for 7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine?
The canonical SMILES for 7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine is Cc1c2c(-c3ccc(-c4ccccn4)cc3)nc3ccccc3c2c(C)c2c(-c3ccc(-c4ccccn4)cc3)nc3ccccc3c12.Cc1c2c(-c3ccc(-c4cccnc4)cc3)nc3ccccc3c2c(C)c2c(-c3ccc(-c4cccnc4)cc3)nc3ccccc3c12.
What is the InChIKey of 7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine?
The InChIKey is RRLVMLDUNVEORD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H30N4/c1-27-39-33-11-3-5-15-37(33)48-44(32-23-19-30(20-24-32)36-14-8-10-26-46-36)42(39)28(2)40-34-12-4-6-16-38(34)47-43(41(27)40)31-21-17-29(18-22-31)35-13-7-9-25-45-35;1-27-39-35-11-3-5-13-37(35)48-44(32-21-17-30(18-22-32)34-10-8-24-46-26-34)42(39)28(2)40-36-12-4-6-14-38(36)47-43(41(27)40)31-19-15-29(16-20-31)33-9-7-23-45-25-33/h2*3-26H,1-2H3.
What are the key properties of 7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine?
7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine has a molecular weight of 1229.50 g/mol, XLogP of 22.33, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine is sourced from PubChem (CID 160707890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).