4-phenyl-2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;3-phenyl-6-[4-(9-phenylxanthen-9-yl)phenyl]pyridazine;2-phenyl-8-[4-(9-phenylxanthen-9-yl)phenyl]quinoline;2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline

C163H109N7O4 — CID 157491166

IUPAC4-phenyl-2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;3-phenyl-6-[4-(9-phenylxanthen-9-yl)phenyl]pyridazine;2-phenyl-8-[4-(9-phenylxanthen-9-yl)phenyl]quinoline;2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3ccc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)cc3)nn2)cc1.c1ccc(-c2ccc3cccc(-c4ccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)cc4)c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)cc4)cc3)nc3ccccc23)cc1.c1ccc(C2(c3ccc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)cc3)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C45H30N2O.C43H28N2O.C40H27NO.C35H24N2O/c1-3-13-33(14-4-1)43-37-17-7-10-20-40(37)46-44(47-43)34-25-23-31(24-26-34)32-27-29-36(30-28-32)45(35-15-5-2-6-16-35)38-18-8-11-21-41(38)48-42-22-12-9-19-39(42)45;1-2-10-34(11-3-1)43(36-12-4-6-14-39(36)46-40-15-7-5-13-37(40)43)35-25-22-30(23-26-35)29-16-18-31(19-17-29)38-27-24-33-21-20-32-9-8-28-44-41(32)42(33)45-38;1-3-12-29(13-4-1)36-27-24-30-14-11-17-33(39(30)41-36)28-22-25-32(26-23-28)40(31-15-5-2-6-16-31)34-18-7-9-20-37(34)42-38-21-10-8-19-35(38)40;1-3-11-25(12-4-1)31-23-24-32(37-36-31)26-19-21-28(22-20-26)35(27-13-5-2-6-14-27)29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)35/h1-30H;1-28H;1-27H;1-24H
InChIKeyBXHIHJYCYUWZLJ-UHFFFAOYSA-N
MW2229.71 g/mol
LogP40.08
Rot. Bonds17

About 4-phenyl-2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;3-phenyl-6-[4-(9-phenylxanthen-9-yl)phenyl]pyridazine;2-phenyl-8-[4-(9-phenylxanthen-9-yl)phenyl]quinoline;2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline

4-phenyl-2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;3-phenyl-6-[4-(9-phenylxanthen-9-yl)phenyl]pyridazine;2-phenyl-8-[4-(9-phenylxanthen-9-yl)phenyl]quinoline;2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline (PubChem CID 157491166) has the molecular formula C163H109N7O4 and a molecular weight of 2229.71 g/mol. Its IUPAC name is 4-phenyl-2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;3-phenyl-6-[4-(9-phenylxanthen-9-yl)phenyl]pyridazine;2-phenyl-8-[4-(9-phenylxanthen-9-yl)phenyl]quinoline;2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name4-phenyl-2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;3-phenyl-6-[4-(9-phenylxanthen-9-yl)phenyl]pyridazine;2-phenyl-8-[4-(9-phenylxanthen-9-yl)phenyl]quinoline;2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline
PubChem CID157491166
Molecular FormulaC163H109N7O4
Molecular Weight2229.71 g/mol
Exact Mass2227.85
IUPAC Name4-phenyl-2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;3-phenyl-6-[4-(9-phenylxanthen-9-yl)phenyl]pyridazine;2-phenyl-8-[4-(9-phenylxanthen-9-yl)phenyl]quinoline;2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3ccc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)cc3)nn2)cc1.c1ccc(-c2ccc3cccc(-c4ccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)cc4)c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)cc4)cc3)nc3ccccc23)cc1.c1ccc(C2(c3ccc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)cc3)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C45H30N2O.C43H28N2O.C40H27NO.C35H24N2O/c1-3-13-33(14-4-1)43-37-17-7-10-20-40(37)46-44(47-43)34-25-23-31(24-26-34)32-27-29-36(30-28-32)45(35-15-5-2-6-16-35)38-18-8-11-21-41(38)48-42-22-12-9-19-39(42)45;1-2-10-34(11-3-1)43(36-12-4-6-14-39(36)46-40-15-7-5-13-37(40)43)35-25-22-30(23-26-35)29-16-18-31(19-17-29)38-27-24-33-21-20-32-9-8-28-44-41(32)42(33)45-38;1-3-12-29(13-4-1)36-27-24-30-14-11-17-33(39(30)41-36)28-22-25-32(26-23-28)40(31-15-5-2-6-16-31)34-18-7-9-20-37(34)42-38-21-10-8-19-35(38)40;1-3-11-25(12-4-1)31-23-24-32(37-36-31)26-19-21-28(22-20-26)35(27-13-5-2-6-14-27)29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)35/h1-30H;1-28H;1-27H;1-24H
InChIKeyBXHIHJYCYUWZLJ-UHFFFAOYSA-N
XLogP40.08
TPSA127.15 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002229.71
LogP ≤ 540.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-phenyl-2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;3-phenyl-6-[4-(9-phenylxanthen-9-yl)phenyl]pyridazine;2-phenyl-8-[4-(9-phenylxanthen-9-yl)phenyl]quinoline;2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline with MolForge

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Related Compounds

7-ethyl-3-propan-2-ylpyrido[3,4-b]pyrazine;7-methoxy-3-propan-2-ylpyrido[3,4-b]pyrazine;3-(3-methylbutyl)pyrazino[2,3-c]pyridazine;7-methyl-2-(2-methylpropyl)pyrimido[4,5-d]pyrimidine;6-methyl-3-propan-2-ylpyrido[2,3-c]pyridazine;7-methyl-2-propan-2-ylpyrimido[4,5-d]pyrimidine;3-propan-2-ylcinnoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,6-naphthyridine;3-propan-2-ylpyrazino[2,3-c]pyridazine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[3,2-d]pyrimidine;2-propan-2-ylpyrimido[4,5-d]pyrimidine;bis(2-propan-2-ylquinoxaline);6-propan-2-ylquinoxaline;3-propan-2-yl-5,6,7,8-tetrahydro-1,2,4-benzotriazine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline;3-propan-2-yl-6-(trifluoromethyl)quinoline
CID 161827131
6-(3,4-dihydro-2H-chromen-2-yl)-8-(3,4-dihydroquinolin-2-yl)-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-ylcinnoline
CID 53654478
7-(2-Phenoxyphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-(3-propan-2-ylphenyl)quinoxaline
CID 67035759
7-(7-Cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline
CID 69329100
7-[6-(7-Cyclobutylimidazo[5,1-f][1,2,4]triazin-4-yl)-3-pyridinyl]-2-phenoxyquinoline
CID 69329101
3-(4-Phenoxyphenyl)-2-[3-[3-(4-phenoxyphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline
CID 74538826
2-[4-[4-[6-(4-Dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline
CID 89991774
2-[4-[6-[3,5-Di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 90049949
2-[3-[6-(4-Dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 90049951
3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-8-methyl-2H-1,3-benzoxazin-3-ium;8-methyl-3-(1,3,5-triazin-2-yl)-2H-1,3-benzoxazin-3-ium;3-quinolin-8-yl-2H-1,3-benzoxazin-3-ium
CID 91340257
10-[4-Phenoxazin-10-yl-6-(11-pyrimido[5,4-d]pyrimidin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenoxazine
CID 117862681
10-[4-[5-(1,10-Phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine
CID 117862729

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;3-phenyl-6-[4-(9-phenylxanthen-9-yl)phenyl]pyridazine;2-phenyl-8-[4-(9-phenylxanthen-9-yl)phenyl]quinoline;2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline?
The IUPAC name of 4-phenyl-2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;3-phenyl-6-[4-(9-phenylxanthen-9-yl)phenyl]pyridazine;2-phenyl-8-[4-(9-phenylxanthen-9-yl)phenyl]quinoline;2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline (CID 157491166) is 4-phenyl-2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;3-phenyl-6-[4-(9-phenylxanthen-9-yl)phenyl]pyridazine;2-phenyl-8-[4-(9-phenylxanthen-9-yl)phenyl]quinoline;2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline.
What is the SMILES notation for 4-phenyl-2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;3-phenyl-6-[4-(9-phenylxanthen-9-yl)phenyl]pyridazine;2-phenyl-8-[4-(9-phenylxanthen-9-yl)phenyl]quinoline;2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline?
The canonical SMILES for 4-phenyl-2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;3-phenyl-6-[4-(9-phenylxanthen-9-yl)phenyl]pyridazine;2-phenyl-8-[4-(9-phenylxanthen-9-yl)phenyl]quinoline;2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline is c1ccc(-c2ccc(-c3ccc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)cc3)nn2)cc1.c1ccc(-c2ccc3cccc(-c4ccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)cc4)c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)cc4)cc3)nc3ccccc23)cc1.c1ccc(C2(c3ccc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)cc3)c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 4-phenyl-2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;3-phenyl-6-[4-(9-phenylxanthen-9-yl)phenyl]pyridazine;2-phenyl-8-[4-(9-phenylxanthen-9-yl)phenyl]quinoline;2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline?
The InChIKey is BXHIHJYCYUWZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O.C43H28N2O.C40H27NO.C35H24N2O/c1-3-13-33(14-4-1)43-37-17-7-10-20-40(37)46-44(47-43)34-25-23-31(24-26-34)32-27-29-36(30-28-32)45(35-15-5-2-6-16-35)38-18-8-11-21-41(38)48-42-22-12-9-19-39(42)45;1-2-10-34(11-3-1)43(36-12-4-6-14-39(36)46-40-15-7-5-13-37(40)43)35-25-22-30(23-26-35)29-16-18-31(19-17-29)38-27-24-33-21-20-32-9-8-28-44-41(32)42(33)45-38;1-3-12-29(13-4-1)36-27-24-30-14-11-17-33(39(30)41-36)28-22-25-32(26-23-28)40(31-15-5-2-6-16-31)34-18-7-9-20-37(34)42-38-21-10-8-19-35(38)40;1-3-11-25(12-4-1)31-23-24-32(37-36-31)26-19-21-28(22-20-26)35(27-13-5-2-6-14-27)29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)35/h1-30H;1-28H;1-27H;1-24H.
What are the key properties of 4-phenyl-2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;3-phenyl-6-[4-(9-phenylxanthen-9-yl)phenyl]pyridazine;2-phenyl-8-[4-(9-phenylxanthen-9-yl)phenyl]quinoline;2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline?
4-phenyl-2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;3-phenyl-6-[4-(9-phenylxanthen-9-yl)phenyl]pyridazine;2-phenyl-8-[4-(9-phenylxanthen-9-yl)phenyl]quinoline;2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline has a molecular weight of 2229.71 g/mol, XLogP of 40.08, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;3-phenyl-6-[4-(9-phenylxanthen-9-yl)phenyl]pyridazine;2-phenyl-8-[4-(9-phenylxanthen-9-yl)phenyl]quinoline;2-[4-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 157491166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).