3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine

C209H133F8N19 — CID 160835453

IUPAC3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
SMILESCc1c2c(-c3ccc(F)cc3)nc3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc3c2c(C)c2c(-c3ccc(F)cc3)nc3ccccc3c12.Cc1c2c(-c3ccc(F)cc3)nc3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc3c2c(C)c2c(-c3ccc(F)cc3)nc3ccccc3c12.Cc1c2c(-c3ccc(F)cc3)nc3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc3c2c(C)c2c(-c3ccc(F)cc3)nc3ccccc3c12.Cc1c2c(-c3ccc(F)cc3)nc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c2c(C)c2c(-c3ccc(F)cc3)nc3ccccc3c12
InChIInChI=1S/2C55H35F2N5.C50H32F2N4.C49H31F2N5/c1-32-47-43-18-9-10-19-45(43)58-51(34-20-25-41(56)26-21-34)49(47)33(2)48-44-29-24-39(31-46(44)59-52(50(32)48)35-22-27-42(57)28-23-35)38-16-11-17-40(30-38)55-61-53(36-12-5-3-6-13-36)60-54(62-55)37-14-7-4-8-15-37;1-32-47-43-15-9-10-16-45(43)58-51(35-21-26-41(56)27-22-35)49(47)33(2)48-44-30-25-40(31-46(44)59-52(50(32)48)36-23-28-42(57)29-24-36)34-17-19-39(20-18-34)55-61-53(37-11-5-3-6-12-37)60-54(62-55)38-13-7-4-8-14-38;1-29-44-38-15-9-10-16-40(38)53-48(33-17-22-36(51)23-18-33)46(44)30(2)45-39-26-21-35(27-43(39)54-49(47(29)45)34-19-24-37(52)25-20-34)50-55-41(31-11-5-3-6-12-31)28-42(56-50)32-13-7-4-8-14-32;1-28-41-37-15-9-10-16-39(37)52-45(30-17-22-35(50)23-18-30)43(41)29(2)42-38-26-21-34(27-40(38)53-46(44(28)42)31-19-24-36(51)25-20-31)49-55-47(32-11-5-3-6-12-32)54-48(56-49)33-13-7-4-8-14-33/h2*3-31H,1-2H3;3-28H,1-2H3;3-27H,1-2H3
InChIKeySHIUIFBDAMAJRD-UHFFFAOYSA-N
MW3062.48 g/mol
LogP53.96
Rot. Bonds22

About 3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine

3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine (PubChem CID 160835453) has the molecular formula C209H133F8N19 and a molecular weight of 3062.48 g/mol. Its IUPAC name is 3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine.

Molecular Properties

Compound Name3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
PubChem CID160835453
Molecular FormulaC209H133F8N19
Molecular Weight3062.48 g/mol
Exact Mass3060.09
IUPAC Name3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
SMILESCc1c2c(-c3ccc(F)cc3)nc3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc3c2c(C)c2c(-c3ccc(F)cc3)nc3ccccc3c12.Cc1c2c(-c3ccc(F)cc3)nc3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc3c2c(C)c2c(-c3ccc(F)cc3)nc3ccccc3c12.Cc1c2c(-c3ccc(F)cc3)nc3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc3c2c(C)c2c(-c3ccc(F)cc3)nc3ccccc3c12.Cc1c2c(-c3ccc(F)cc3)nc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c2c(C)c2c(-c3ccc(F)cc3)nc3ccccc3c12
InChIInChI=1S/2C55H35F2N5.C50H32F2N4.C49H31F2N5/c1-32-47-43-18-9-10-19-45(43)58-51(34-20-25-41(56)26-21-34)49(47)33(2)48-44-29-24-39(31-46(44)59-52(50(32)48)35-22-27-42(57)28-23-35)38-16-11-17-40(30-38)55-61-53(36-12-5-3-6-13-36)60-54(62-55)37-14-7-4-8-15-37;1-32-47-43-15-9-10-16-45(43)58-51(35-21-26-41(56)27-22-35)49(47)33(2)48-44-30-25-40(31-46(44)59-52(50(32)48)36-23-28-42(57)29-24-36)34-17-19-39(20-18-34)55-61-53(37-11-5-3-6-12-37)60-54(62-55)38-13-7-4-8-14-38;1-29-44-38-15-9-10-16-40(38)53-48(33-17-22-36(51)23-18-33)46(44)30(2)45-39-26-21-35(27-43(39)54-49(47(29)45)34-19-24-37(52)25-20-34)50-55-41(31-11-5-3-6-12-31)28-42(56-50)32-13-7-4-8-14-32;1-28-41-37-15-9-10-16-39(37)52-45(30-17-22-35(50)23-18-30)43(41)29(2)42-38-26-21-34(27-40(38)53-46(44(28)42)31-19-24-36(51)25-20-31)49-55-47(32-11-5-3-6-12-32)54-48(56-49)33-13-7-4-8-14-33/h2*3-31H,1-2H3;3-28H,1-2H3;3-27H,1-2H3
InChIKeySHIUIFBDAMAJRD-UHFFFAOYSA-N
XLogP53.96
TPSA244.91 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003062.48
LogP ≤ 553.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine with MolForge

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Related Compounds

3-(3-diphenylphosphorylphenyl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134595923
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
3-(3,5-dipyridin-3-ylphenyl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134595971
3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine
CID 146548907
3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
CID 134591983
10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine
CID 146548788
7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine
CID 134595893
22-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]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;22-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]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 158897043
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548653
6-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665665
6-[4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665894
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-fluorophenyl)benzo[k]phenanthridine
CID 138605693

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine?
The IUPAC name of 3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine (CID 160835453) is 3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine.
What is the SMILES notation for 3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine?
The canonical SMILES for 3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine is Cc1c2c(-c3ccc(F)cc3)nc3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc3c2c(C)c2c(-c3ccc(F)cc3)nc3ccccc3c12.Cc1c2c(-c3ccc(F)cc3)nc3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc3c2c(C)c2c(-c3ccc(F)cc3)nc3ccccc3c12.Cc1c2c(-c3ccc(F)cc3)nc3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc3c2c(C)c2c(-c3ccc(F)cc3)nc3ccccc3c12.Cc1c2c(-c3ccc(F)cc3)nc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c2c(C)c2c(-c3ccc(F)cc3)nc3ccccc3c12.
What is the InChIKey of 3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine?
The InChIKey is SHIUIFBDAMAJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H35F2N5.C50H32F2N4.C49H31F2N5/c1-32-47-43-18-9-10-19-45(43)58-51(34-20-25-41(56)26-21-34)49(47)33(2)48-44-29-24-39(31-46(44)59-52(50(32)48)35-22-27-42(57)28-23-35)38-16-11-17-40(30-38)55-61-53(36-12-5-3-6-13-36)60-54(62-55)37-14-7-4-8-15-37;1-32-47-43-15-9-10-16-45(43)58-51(35-21-26-41(56)27-22-35)49(47)33(2)48-44-30-25-40(31-46(44)59-52(50(32)48)36-23-28-42(57)29-24-36)34-17-19-39(20-18-34)55-61-53(37-11-5-3-6-12-37)60-54(62-55)38-13-7-4-8-14-38;1-29-44-38-15-9-10-16-40(38)53-48(33-17-22-36(51)23-18-33)46(44)30(2)45-39-26-21-35(27-43(39)54-49(47(29)45)34-19-24-37(52)25-20-34)50-55-41(31-11-5-3-6-12-31)28-42(56-50)32-13-7-4-8-14-32;1-28-41-37-15-9-10-16-39(37)52-45(30-17-22-35(50)23-18-30)43(41)29(2)42-38-26-21-34(27-40(38)53-46(44(28)42)31-19-24-36(51)25-20-31)49-55-47(32-11-5-3-6-12-32)54-48(56-49)33-13-7-4-8-14-33/h2*3-31H,1-2H3;3-28H,1-2H3;3-27H,1-2H3.
What are the key properties of 3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine?
3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine has a molecular weight of 3062.48 g/mol, XLogP of 53.96, 22 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine is sourced from PubChem (CID 160835453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).