4-[3-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine

C190H133N9OS — CID 157210561

IUPAC4-[3-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)c21.CC1(C)c2ccccc2-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)c3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5oc5ccc7ccccc7c56)c4)c3)c21
InChIInChI=1S/C49H35N3.C49H34N2S.C47H32N2O.C45H32N2/c1-49(2)42-26-9-6-25-41(42)47-45(49)46(50-48(51-47)37-21-13-17-33(30-37)32-15-4-3-5-16-32)36-20-12-18-34(29-36)35-19-14-22-38(31-35)52-43-27-10-7-23-39(43)40-24-8-11-28-44(40)52;1-49(2)42-26-8-6-23-41(42)46-44(49)45(50-48(51-46)37-21-12-16-32(30-37)31-14-4-3-5-15-31)36-20-11-18-34(29-36)33-17-10-19-35(28-33)38-24-13-25-40-39-22-7-9-27-43(39)52-47(38)40;1-47(2)39-24-9-8-21-37(39)44-42(47)43(48-46(49-44)30-14-4-3-5-15-30)34-19-11-17-32(28-34)31-16-10-18-33(27-31)36-22-12-23-38-41-35-20-7-6-13-29(35)25-26-40(41)50-45(36)38;1-45(2)40-25-11-10-24-38(40)43-41(45)42(46-44(47-43)29-14-4-3-5-15-29)34-20-13-18-31(27-34)30-17-12-19-32(26-30)39-28-33-16-6-7-21-35(33)36-22-8-9-23-37(36)39/h3-31H,1-2H3;3-30H,1-2H3;3-28H,1-2H3;3-28H,1-2H3
InChIKeyARVPDKGRYYYRTQ-UHFFFAOYSA-N
MW2590.28 g/mol
LogP50.29
Rot. Bonds18

About 4-[3-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine

4-[3-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine (PubChem CID 157210561) has the molecular formula C190H133N9OS and a molecular weight of 2590.28 g/mol. Its IUPAC name is 4-[3-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine
PubChem CID157210561
Molecular FormulaC190H133N9OS
Molecular Weight2590.28 g/mol
Exact Mass2588.04
IUPAC Name4-[3-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)c21.CC1(C)c2ccccc2-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)c3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5oc5ccc7ccccc7c56)c4)c3)c21
InChIInChI=1S/C49H35N3.C49H34N2S.C47H32N2O.C45H32N2/c1-49(2)42-26-9-6-25-41(42)47-45(49)46(50-48(51-47)37-21-13-17-33(30-37)32-15-4-3-5-16-32)36-20-12-18-34(29-36)35-19-14-22-38(31-35)52-43-27-10-7-23-39(43)40-24-8-11-28-44(40)52;1-49(2)42-26-8-6-23-41(42)46-44(49)45(50-48(51-46)37-21-12-16-32(30-37)31-14-4-3-5-15-31)36-20-11-18-34(29-36)33-17-10-19-35(28-33)38-24-13-25-40-39-22-7-9-27-43(39)52-47(38)40;1-47(2)39-24-9-8-21-37(39)44-42(47)43(48-46(49-44)30-14-4-3-5-15-30)34-19-11-17-32(28-34)31-16-10-18-33(27-31)36-22-12-23-38-41-35-20-7-6-13-29(35)25-26-40(41)50-45(36)38;1-45(2)40-25-11-10-24-38(40)43-41(45)42(46-44(47-43)29-14-4-3-5-15-29)34-20-13-18-31(27-34)30-17-12-19-32(26-30)39-28-33-16-6-7-21-35(33)36-22-8-9-23-37(36)39/h3-31H,1-2H3;3-30H,1-2H3;3-28H,1-2H3;3-28H,1-2H3
InChIKeyARVPDKGRYYYRTQ-UHFFFAOYSA-N
XLogP50.29
TPSA121.19 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002590.28
LogP ≤ 550.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-[3-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine?
The IUPAC name of 4-[3-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine (CID 157210561) is 4-[3-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine.
What is the SMILES notation for 4-[3-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine?
The canonical SMILES for 4-[3-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine is CC1(C)c2ccccc2-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)c21.CC1(C)c2ccccc2-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)c3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5oc5ccc7ccccc7c56)c4)c3)c21.
What is the InChIKey of 4-[3-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine?
The InChIKey is ARVPDKGRYYYRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3.C49H34N2S.C47H32N2O.C45H32N2/c1-49(2)42-26-9-6-25-41(42)47-45(49)46(50-48(51-47)37-21-13-17-33(30-37)32-15-4-3-5-16-32)36-20-12-18-34(29-36)35-19-14-22-38(31-35)52-43-27-10-7-23-39(43)40-24-8-11-28-44(40)52;1-49(2)42-26-8-6-23-41(42)46-44(49)45(50-48(51-46)37-21-12-16-32(30-37)31-14-4-3-5-15-31)36-20-11-18-34(29-36)33-17-10-19-35(28-33)38-24-13-25-40-39-22-7-9-27-43(39)52-47(38)40;1-47(2)39-24-9-8-21-37(39)44-42(47)43(48-46(49-44)30-14-4-3-5-15-30)34-19-11-17-32(28-34)31-16-10-18-33(27-31)36-22-12-23-38-41-35-20-7-6-13-29(35)25-26-40(41)50-45(36)38;1-45(2)40-25-11-10-24-38(40)43-41(45)42(46-44(47-43)29-14-4-3-5-15-29)34-20-13-18-31(27-34)30-17-12-19-32(26-30)39-28-33-16-6-7-21-35(33)36-22-8-9-23-37(36)39/h3-31H,1-2H3;3-30H,1-2H3;3-28H,1-2H3;3-28H,1-2H3.
What are the key properties of 4-[3-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine?
4-[3-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine has a molecular weight of 2590.28 g/mol, XLogP of 50.29, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine is sourced from PubChem (CID 157210561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).