3,5-Bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;9-(4-methoxyphenyl)carbazole

C147H151N7OS — CID 157672035

IUPAC3,5-bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;9-(4-methoxyphenyl)carbazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COC1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C42.C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.C1=CC=C2C(=C1)C3=CC=CC=C3S2.C1=CC(=CC(=C1)C2=CC(=CC(=C2)C3=CN=CC=C3)C4=CN=CC=C4)C5=CN=CC=C5.C1=CC(=CC(=C1)C2=CC(=CN=C2)C3=CC=CC(=C3)C4=CN=CC=C4)C5=CN=CC=C5
InChIInChI=1S/C42H30.2C27H19N3.C19H15NO.C12H8S.10C2H6/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33;1-5-20(24-9-3-11-28-16-24)13-22(7-1)26-15-27(19-30-18-26)23-8-2-6-21(14-23)25-10-4-12-29-17-25;1-5-20(22-7-2-10-28-17-22)13-21(6-1)25-14-26(23-8-3-11-29-18-23)16-27(15-25)24-9-4-12-30-19-24;1-21-15-12-10-14(11-13-15)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;10*1-2/h1-30H;2*1-19H;2-13H,1H3;1-8H;10*1-2H3
InChIKeyCRVQUDQGYMXZMV-UHFFFAOYSA-N
MW2063.90 g/mol
LogP—
Rot. Bonds16

About 3,5-Bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;9-(4-methoxyphenyl)carbazole

3,5-Bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;9-(4-methoxyphenyl)carbazole (PubChem CID 157672035) has the molecular formula C147H151N7OS and a molecular weight of 2063.90 g/mol. Its IUPAC name is 3,5-bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;9-(4-methoxyphenyl)carbazole.

Molecular Properties

Compound Name3,5-Bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;9-(4-methoxyphenyl)carbazole
PubChem CID157672035
Molecular FormulaC147H151N7OS
Molecular Weight2063.90 g/mol
Exact Mass2063.17
IUPAC Name3,5-bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;9-(4-methoxyphenyl)carbazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COC1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C42.C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.C1=CC=C2C(=C1)C3=CC=CC=C3S2.C1=CC(=CC(=C1)C2=CC(=CC(=C2)C3=CN=CC=C3)C4=CN=CC=C4)C5=CN=CC=C5.C1=CC(=CC(=C1)C2=CC(=CN=C2)C3=CC=CC(=C3)C4=CN=CC=C4)C5=CN=CC=C5
InChIInChI=1S/C42H30.2C27H19N3.C19H15NO.C12H8S.10C2H6/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33;1-5-20(24-9-3-11-28-16-24)13-22(7-1)26-15-27(19-30-18-26)23-8-2-6-21(14-23)25-10-4-12-29-17-25;1-5-20(22-7-2-10-28-17-22)13-21(6-1)25-14-26(23-8-3-11-29-18-23)16-27(15-25)24-9-4-12-30-19-24;1-21-15-12-10-14(11-13-15)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;10*1-2/h1-30H;2*1-19H;2-13H,1H3;1-8H;10*1-2H3
InChIKeyCRVQUDQGYMXZMV-UHFFFAOYSA-N
XLogP—
TPSA120.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms156
Complexity2050

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002063.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,5-Bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;9-(4-methoxyphenyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-Bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;9-(4-methoxyphenyl)carbazole?
The IUPAC name of 3,5-Bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;9-(4-methoxyphenyl)carbazole (CID 157672035) is 3,5-bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;9-(4-methoxyphenyl)carbazole.
What is the SMILES notation for 3,5-Bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;9-(4-methoxyphenyl)carbazole?
The canonical SMILES for 3,5-Bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;9-(4-methoxyphenyl)carbazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COC1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C42.C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.C1=CC=C2C(=C1)C3=CC=CC=C3S2.C1=CC(=CC(=C1)C2=CC(=CC(=C2)C3=CN=CC=C3)C4=CN=CC=C4)C5=CN=CC=C5.C1=CC(=CC(=C1)C2=CC(=CN=C2)C3=CC=CC(=C3)C4=CN=CC=C4)C5=CN=CC=C5.
What is the InChIKey of 3,5-Bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;9-(4-methoxyphenyl)carbazole?
The InChIKey is CRVQUDQGYMXZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30.2C27H19N3.C19H15NO.C12H8S.10C2H6/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33;1-5-20(24-9-3-11-28-16-24)13-22(7-1)26-15-27(19-30-18-26)23-8-2-6-21(14-23)25-10-4-12-29-17-25;1-5-20(22-7-2-10-28-17-22)13-21(6-1)25-14-26(23-8-3-11-29-18-23)16-27(15-25)24-9-4-12-30-19-24;1-21-15-12-10-14(11-13-15)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;10*1-2/h1-30H;2*1-19H;2-13H,1H3;1-8H;10*1-2H3.
What are the key properties of 3,5-Bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;9-(4-methoxyphenyl)carbazole?
3,5-Bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;9-(4-methoxyphenyl)carbazole has a molecular weight of 2063.90 g/mol, XLogP of not available, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-Bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;9-(4-methoxyphenyl)carbazole is sourced from PubChem (CID 157672035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).