9-[3-[4-(4-isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline

C164H110N6O4 — CID 157283670

IUPAC9-[3-[4-(4-isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3cccc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)c3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4cccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)c4)cc3)nn2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)c4)cc3)c3ccccc3n2)cc1.c1ccc(C2(c3cccc(-c4ccc(-c5cccc6cccnc56)cc4)c3)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C45H30N2O.C41H28N2O.C40H27NO.C38H25NO/c1-3-14-33(15-4-1)44-46-40-23-10-7-20-37(40)43(47-44)32-28-26-31(27-29-32)34-16-13-19-36(30-34)45(35-17-5-2-6-18-35)38-21-8-11-24-41(38)48-42-25-12-9-22-39(42)45;1-3-12-30(13-4-1)37-26-27-38(43-42-37)31-24-22-29(23-25-31)32-14-11-17-34(28-32)41(33-15-5-2-6-16-33)35-18-7-9-20-39(35)44-40-21-10-8-19-36(40)41;1-2-14-32(15-3-1)40(35-18-4-6-20-37(35)42-38-21-7-5-19-36(38)40)33-16-8-12-31(27-33)28-22-24-29(25-23-28)34-17-9-11-30-13-10-26-41-39(30)34;1-39-33-24-22-28(23-25-33)27-18-20-29(21-19-27)30-10-9-13-32(26-30)38(31-11-3-2-4-12-31)34-14-5-7-16-36(34)40-37-17-8-6-15-35(37)38/h1-30H;1-28H;1-27H;2-26H
InChIKeyAZYWSOHLVZLNAE-UHFFFAOYSA-N
MW2228.72 g/mol
LogP41.20
Rot. Bonds18

About 9-[3-[4-(4-isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline

9-[3-[4-(4-isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline (PubChem CID 157283670) has the molecular formula C164H110N6O4 and a molecular weight of 2228.72 g/mol. Its IUPAC name is 9-[3-[4-(4-isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline.

Molecular Properties

Compound Name9-[3-[4-(4-isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline
PubChem CID157283670
Molecular FormulaC164H110N6O4
Molecular Weight2228.72 g/mol
Exact Mass2226.86
IUPAC Name9-[3-[4-(4-isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3cccc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)c3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4cccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)c4)cc3)nn2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)c4)cc3)c3ccccc3n2)cc1.c1ccc(C2(c3cccc(-c4ccc(-c5cccc6cccnc56)cc4)c3)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C45H30N2O.C41H28N2O.C40H27NO.C38H25NO/c1-3-14-33(15-4-1)44-46-40-23-10-7-20-37(40)43(47-44)32-28-26-31(27-29-32)34-16-13-19-36(30-34)45(35-17-5-2-6-18-35)38-21-8-11-24-41(38)48-42-25-12-9-22-39(42)45;1-3-12-30(13-4-1)37-26-27-38(43-42-37)31-24-22-29(23-25-31)32-14-11-17-34(28-32)41(33-15-5-2-6-16-33)35-18-7-9-20-39(35)44-40-21-10-8-19-36(40)41;1-2-14-32(15-3-1)40(35-18-4-6-20-37(35)42-38-21-7-5-19-36(38)40)33-16-8-12-31(27-33)28-22-24-29(25-23-28)34-17-9-11-30-13-10-26-41-39(30)34;1-39-33-24-22-28(23-25-33)27-18-20-29(21-19-27)30-10-9-13-32(26-30)38(31-11-3-2-4-12-31)34-14-5-7-16-36(34)40-37-17-8-6-15-35(37)38/h1-30H;1-28H;1-27H;2-26H
InChIKeyAZYWSOHLVZLNAE-UHFFFAOYSA-N
XLogP41.20
TPSA105.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms174
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002228.72
LogP ≤ 541.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9-[3-[4-(4-isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline with MolForge

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Related Compounds

2-[5-[4-[[2-(Difluoromethoxy)phenyl]methyl]-3-methylcinnolin-6-yl]pyrimidin-2-yl]propan-2-ol;1,4-dioxane
CID 160992748
2-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-4,5,6-triphenylpyrimidine;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,5,6-triphenylpyrimidine;2-[3-(5-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]-4,5,6-triphenylpyrimidine;4-phenyl-2-[4-(4-phenylphenyl)phenyl]phenanthro[9,10-d]pyrimidine
CID 161844417
3-[1-[6-(3-Methyl-1-tritylpyrazol-4-yl)quinazolin-4-yl]piperidin-4-yl]oxybenzonitrile
CID 23537364
4-[4-[(2-Methoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-(1-tritylpyrazol-4-yl)quinazoline
CID 23537444
4-[4-(2-Methoxyphenyl)piperidin-1-yl]-6-(1-tritylpyrazol-4-yl)quinazoline
CID 23537446
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
1-[Methoxy-(4-methoxy-3-phenyl-2-pyrimidin-2-yl-5-quinolin-2-ylphenoxy)-phenylmethyl]isoquinoline
CID 53718430
1-[4-[[3-(2-Ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenoxy]-4-phenylphthalazine
CID 58482311
1-[[4-[[3-(2-Ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]methyl]-4-phenylphthalazine
CID 58482325
2-[5-Methyl-6-(2-phenoxyphenyl)-2-pyridinyl]quinazoline
CID 67688848
4-[4-(4-Methoxyphenyl)piperidin-1-yl]-6-(1-tritylpyrazol-4-yl)quinazoline
CID 68811837
6-(2-methoxyphenyl)-N,N-dimethyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180728

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(4-isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline?
The IUPAC name of 9-[3-[4-(4-isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline (CID 157283670) is 9-[3-[4-(4-isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline.
What is the SMILES notation for 9-[3-[4-(4-isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline?
The canonical SMILES for 9-[3-[4-(4-isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline is [C-]#[N+]c1ccc(-c2ccc(-c3cccc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)c3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4cccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)c4)cc3)nn2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)c4)cc3)c3ccccc3n2)cc1.c1ccc(C2(c3cccc(-c4ccc(-c5cccc6cccnc56)cc4)c3)c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 9-[3-[4-(4-isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline?
The InChIKey is AZYWSOHLVZLNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O.C41H28N2O.C40H27NO.C38H25NO/c1-3-14-33(15-4-1)44-46-40-23-10-7-20-37(40)43(47-44)32-28-26-31(27-29-32)34-16-13-19-36(30-34)45(35-17-5-2-6-18-35)38-21-8-11-24-41(38)48-42-25-12-9-22-39(42)45;1-3-12-30(13-4-1)37-26-27-38(43-42-37)31-24-22-29(23-25-31)32-14-11-17-34(28-32)41(33-15-5-2-6-16-33)35-18-7-9-20-39(35)44-40-21-10-8-19-36(40)41;1-2-14-32(15-3-1)40(35-18-4-6-20-37(35)42-38-21-7-5-19-36(38)40)33-16-8-12-31(27-33)28-22-24-29(25-23-28)34-17-9-11-30-13-10-26-41-39(30)34;1-39-33-24-22-28(23-25-33)27-18-20-29(21-19-27)30-10-9-13-32(26-30)38(31-11-3-2-4-12-31)34-14-5-7-16-36(34)40-37-17-8-6-15-35(37)38/h1-30H;1-28H;1-27H;2-26H.
What are the key properties of 9-[3-[4-(4-isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline?
9-[3-[4-(4-isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline has a molecular weight of 2228.72 g/mol, XLogP of 41.20, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(4-isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline is sourced from PubChem (CID 157283670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).