6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine

C151H95N9 — CID 158632556

IUPAC6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)n3)cc2)cc1.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)nc(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cc3)n1)c1ccccc12
InChIInChI=1S/C55H33N3.C51H33N3.C45H29N3/c1-6-18-41-34(13-1)29-30-47-53(41)46-23-11-12-24-50(46)56-54(47)35-25-27-36(28-26-35)55-57-51(48-31-37-14-2-4-16-39(37)42-19-7-9-21-44(42)48)33-52(58-55)49-32-38-15-3-5-17-40(38)43-20-8-10-22-45(43)49;1-3-11-34(12-4-1)36-19-23-39(24-20-36)47-33-48(40-25-21-37(22-26-40)35-13-5-2-6-14-35)54-51(53-47)42-29-27-41(28-30-42)50-45-32-31-38-15-7-8-16-43(38)49(45)44-17-9-10-18-46(44)52-50;1-3-11-30(12-4-1)31-19-21-34(22-20-31)42-29-41(33-14-5-2-6-15-33)47-45(48-42)36-25-23-35(24-26-36)44-39-28-27-32-13-7-8-16-37(32)43(39)38-17-9-10-18-40(38)46-44/h1-33H;1-33H;1-29H
InChIKeyHZJKEJKQKBOMRE-UHFFFAOYSA-N
MW2035.48 g/mol
LogP39.61
Rot. Bonds15

About 6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine

6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine (PubChem CID 158632556) has the molecular formula C151H95N9 and a molecular weight of 2035.48 g/mol. Its IUPAC name is 6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine
PubChem CID158632556
Molecular FormulaC151H95N9
Molecular Weight2035.48 g/mol
Exact Mass2033.77
IUPAC Name6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)n3)cc2)cc1.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)nc(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cc3)n1)c1ccccc12
InChIInChI=1S/C55H33N3.C51H33N3.C45H29N3/c1-6-18-41-34(13-1)29-30-47-53(41)46-23-11-12-24-50(46)56-54(47)35-25-27-36(28-26-35)55-57-51(48-31-37-14-2-4-16-39(37)42-19-7-9-21-44(42)48)33-52(58-55)49-32-38-15-3-5-17-40(38)43-20-8-10-22-45(43)49;1-3-11-34(12-4-1)36-19-23-39(24-20-36)47-33-48(40-25-21-37(22-26-40)35-13-5-2-6-14-35)54-51(53-47)42-29-27-41(28-30-42)50-45-32-31-38-15-7-8-16-43(38)49(45)44-17-9-10-18-46(44)52-50;1-3-11-30(12-4-1)31-19-21-34(22-20-31)42-29-41(33-14-5-2-6-15-33)47-45(48-42)36-25-23-35(24-26-36)44-39-28-27-32-13-7-8-16-37(32)43(39)38-17-9-10-18-40(38)46-44/h1-33H;1-33H;1-29H
InChIKeyHZJKEJKQKBOMRE-UHFFFAOYSA-N
XLogP39.61
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002035.48
LogP ≤ 539.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine with MolForge

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Related Compounds

6-[4-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665626
6-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665667
6-[4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665894
6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 122665638
6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 122666028
6-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665665
6-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666066
10-[3-[4-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]phenyl]-6-phenylphenanthridine
CID 146548146
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine
CID 122665637
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665395
6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 161411337
14-[4-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123282

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine?
The IUPAC name of 6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine (CID 158632556) is 6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine?
The canonical SMILES for 6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)n3)cc2)cc1.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)nc(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cc3)n1)c1ccccc12.
What is the InChIKey of 6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine?
The InChIKey is HZJKEJKQKBOMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3.C51H33N3.C45H29N3/c1-6-18-41-34(13-1)29-30-47-53(41)46-23-11-12-24-50(46)56-54(47)35-25-27-36(28-26-35)55-57-51(48-31-37-14-2-4-16-39(37)42-19-7-9-21-44(42)48)33-52(58-55)49-32-38-15-3-5-17-40(38)43-20-8-10-22-45(43)49;1-3-11-34(12-4-1)36-19-23-39(24-20-36)47-33-48(40-25-21-37(22-26-40)35-13-5-2-6-14-35)54-51(53-47)42-29-27-41(28-30-42)50-45-32-31-38-15-7-8-16-43(38)49(45)44-17-9-10-18-46(44)52-50;1-3-11-30(12-4-1)31-19-21-34(22-20-31)42-29-41(33-14-5-2-6-15-33)47-45(48-42)36-25-23-35(24-26-36)44-39-28-27-32-13-7-8-16-37(32)43(39)38-17-9-10-18-40(38)46-44/h1-33H;1-33H;1-29H.
What are the key properties of 6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine?
6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine has a molecular weight of 2035.48 g/mol, XLogP of 39.61, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 158632556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).