2-chloro-4-naphthalen-1-ylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-phenylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidine

C130H77Cl5N10 — CID 159110726

IUPAC2-chloro-4-naphthalen-1-ylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-phenylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidine
SMILESClc1nc(-c2ccc(-c3ccc4ccccc4c3)cc2)c2c3ccccc3c3ccccc3c2n1.Clc1nc(-c2ccc(-c3ccccc3)cc2)c2c3ccccc3c3ccccc3c2n1.Clc1nc(-c2cccc3ccccc23)c2c3ccccc3c3ccccc3c2n1.Clc1nc(-c2ccccc2)c2c3ccccc3c3ccccc3c2n1.[2H]c1c([2H])c([2H])c(-c2nc(Cl)nc3c4ccccc4c4ccccc4c23)c([2H])c1[2H]
InChIInChI=1S/C32H19ClN2.C28H17ClN2.C26H15ClN2.2C22H13ClN2/c33-32-34-30(22-16-13-21(14-17-22)24-18-15-20-7-1-2-8-23(20)19-24)29-27-11-5-3-9-25(27)26-10-4-6-12-28(26)31(29)35-32;29-28-30-26(20-16-14-19(15-17-20)18-8-2-1-3-9-18)25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)27(25)31-28;27-26-28-24(21-15-7-9-16-8-1-2-10-17(16)21)23-20-13-5-3-11-18(20)19-12-4-6-14-22(19)25(23)29-26;2*23-22-24-20(14-8-2-1-3-9-14)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)21(19)25-22/h1-19H;1-17H;1-15H;2*1-13H/i;;;1D,2D,3D,8D,9D;
InChIKeyKELLADTWNPPNCL-KWOZAQEGSA-N
MW1961.41 g/mol
LogP36.92
Rot. Bonds7

About 2-chloro-4-naphthalen-1-ylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-phenylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidine

2-chloro-4-naphthalen-1-ylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-phenylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidine (PubChem CID 159110726) has the molecular formula C130H77Cl5N10 and a molecular weight of 1961.41 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-1-ylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-phenylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-naphthalen-1-ylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-phenylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidine
PubChem CID159110726
Molecular FormulaC130H77Cl5N10
Molecular Weight1961.41 g/mol
Exact Mass1957.51
IUPAC Name2-chloro-4-naphthalen-1-ylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-phenylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidine
SMILESClc1nc(-c2ccc(-c3ccc4ccccc4c3)cc2)c2c3ccccc3c3ccccc3c2n1.Clc1nc(-c2ccc(-c3ccccc3)cc2)c2c3ccccc3c3ccccc3c2n1.Clc1nc(-c2cccc3ccccc23)c2c3ccccc3c3ccccc3c2n1.Clc1nc(-c2ccccc2)c2c3ccccc3c3ccccc3c2n1.[2H]c1c([2H])c([2H])c(-c2nc(Cl)nc3c4ccccc4c4ccccc4c23)c([2H])c1[2H]
InChIInChI=1S/C32H19ClN2.C28H17ClN2.C26H15ClN2.2C22H13ClN2/c33-32-34-30(22-16-13-21(14-17-22)24-18-15-20-7-1-2-8-23(20)19-24)29-27-11-5-3-9-25(27)26-10-4-6-12-28(26)31(29)35-32;29-28-30-26(20-16-14-19(15-17-20)18-8-2-1-3-9-18)25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)27(25)31-28;27-26-28-24(21-15-7-9-16-8-1-2-10-17(16)21)23-20-13-5-3-11-18(20)19-12-4-6-14-22(19)25(23)29-26;2*23-22-24-20(14-8-2-1-3-9-14)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)21(19)25-22/h1-19H;1-17H;1-15H;2*1-13H/i;;;1D,2D,3D,8D,9D;
InChIKeyKELLADTWNPPNCL-KWOZAQEGSA-N
XLogP36.92
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001961.41
LogP ≤ 536.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-chloro-4-naphthalen-1-ylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-phenylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidine with MolForge

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Related Compounds

2-chloro-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-pyridin-3-yl-[1]benzofuro[2,3-d]pyrimidine
CID 160802720
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene
CID 163814525
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 159008970
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 162156061
2-[3-(4-naphthalen-1-ylphenyl)phenyl]-4-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169302456
9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene
CID 158982412
2-(4-naphthalen-1-ylphenyl)-4-[3-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 166022217
2-chloro-4-(3-naphthalen-1-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171730934
2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazine;2,4,6-tris(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 165016718
2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,10-diphenylanthracene;2-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracene;2-(3-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-(3-naphthalen-2-ylphenyl)-9,10-diphenylanthracene;2-(4-naphthalen-2-ylphenyl)-9,10-diphenylanthracene
CID 163429802
2,4-bis(2,3,4,5,6-pentadeuteriophenyl)benzo[h]quinazoline;2-naphthalen-1-yl-4-naphthalen-2-ylbenzo[h]quinazoline
CID 161428750
2,3,5,6-tetradeuterio-N,N-bis(3-phenanthren-9-ylphenyl)-4-(4-phenylphenyl)aniline;2,3,5,6-tetradeuterio-4-naphthalen-1-yl-N,N-bis(3-phenanthren-9-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-naphthalen-2-yl-N,N-bis(3-phenanthren-9-ylphenyl)aniline;2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis(3-phenanthren-9-ylphenyl)aniline
CID 163575939

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphthalen-1-ylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-phenylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidine?
The IUPAC name of 2-chloro-4-naphthalen-1-ylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-phenylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidine (CID 159110726) is 2-chloro-4-naphthalen-1-ylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-phenylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-naphthalen-1-ylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-phenylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidine?
The canonical SMILES for 2-chloro-4-naphthalen-1-ylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-phenylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidine is Clc1nc(-c2ccc(-c3ccc4ccccc4c3)cc2)c2c3ccccc3c3ccccc3c2n1.Clc1nc(-c2ccc(-c3ccccc3)cc2)c2c3ccccc3c3ccccc3c2n1.Clc1nc(-c2cccc3ccccc23)c2c3ccccc3c3ccccc3c2n1.Clc1nc(-c2ccccc2)c2c3ccccc3c3ccccc3c2n1.[2H]c1c([2H])c([2H])c(-c2nc(Cl)nc3c4ccccc4c4ccccc4c23)c([2H])c1[2H].
What is the InChIKey of 2-chloro-4-naphthalen-1-ylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-phenylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidine?
The InChIKey is KELLADTWNPPNCL-KWOZAQEGSA-N. The full InChI is InChI=1S/C32H19ClN2.C28H17ClN2.C26H15ClN2.2C22H13ClN2/c33-32-34-30(22-16-13-21(14-17-22)24-18-15-20-7-1-2-8-23(20)19-24)29-27-11-5-3-9-25(27)26-10-4-6-12-28(26)31(29)35-32;29-28-30-26(20-16-14-19(15-17-20)18-8-2-1-3-9-18)25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)27(25)31-28;27-26-28-24(21-15-7-9-16-8-1-2-10-17(16)21)23-20-13-5-3-11-18(20)19-12-4-6-14-22(19)25(23)29-26;2*23-22-24-20(14-8-2-1-3-9-14)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)21(19)25-22/h1-19H;1-17H;1-15H;2*1-13H/i;;;1D,2D,3D,8D,9D;.
What are the key properties of 2-chloro-4-naphthalen-1-ylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-phenylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidine?
2-chloro-4-naphthalen-1-ylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-phenylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidine has a molecular weight of 1961.41 g/mol, XLogP of 36.92, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-naphthalen-1-ylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenanthro[9,10-d]pyrimidine;2-chloro-4-phenylphenanthro[9,10-d]pyrimidine;2-chloro-4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidine is sourced from PubChem (CID 159110726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).