1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene

C174H167N3O2 — CID 158843150

IUPAC1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene
SMILESCC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2oc3ccccc3c12.CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3ccccc3C(C)(C)C)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cccc2c3ccccc3n(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c12.CC(C)(C)c1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C46H35N3.C44H58.2C28H24O.C28H26/c1-46(2,3)39-21-14-20-38-37-19-8-13-26-44(37)49(45(38)39)32-28-30(47-40-22-9-4-15-33(40)34-16-5-10-23-41(34)47)27-31(29-32)48-42-24-11-6-17-35(42)36-18-7-12-25-43(36)48;1-40(2,3)34-23-31(24-35(27-34)41(4,5)6)29-20-30(22-33(21-29)38-18-16-17-19-39(38)44(13,14)15)32-25-36(42(7,8)9)28-37(26-32)43(10,11)12;1-28(2,3)27-20(19-11-5-4-6-12-19)14-9-16-22(27)21-15-10-18-25-26(21)23-13-7-8-17-24(23)29-25;1-28(2,3)26-20(19-11-5-4-6-12-19)14-9-15-22(26)24-17-10-16-23-21-13-7-8-18-25(21)29-27(23)24;1-28(2,3)27-17-11-10-16-26(27)25-19-23(21-12-6-4-7-13-21)18-24(20-25)22-14-8-5-9-15-22/h4-29H,1-3H3;16-28H,1-15H3;2*4-18H,1-3H3;4-20H,1-3H3
InChIKeyIYMQXFAGABIJES-UHFFFAOYSA-N
MW2332.27 g/mol
LogP49.87
Rot. Bonds13

About 1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene

1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene (PubChem CID 158843150) has the molecular formula C174H167N3O2 and a molecular weight of 2332.27 g/mol. Its IUPAC name is 1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene
PubChem CID158843150
Molecular FormulaC174H167N3O2
Molecular Weight2332.27 g/mol
Exact Mass2330.31
IUPAC Name1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene
SMILESCC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2oc3ccccc3c12.CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3ccccc3C(C)(C)C)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cccc2c3ccccc3n(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c12.CC(C)(C)c1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C46H35N3.C44H58.2C28H24O.C28H26/c1-46(2,3)39-21-14-20-38-37-19-8-13-26-44(37)49(45(38)39)32-28-30(47-40-22-9-4-15-33(40)34-16-5-10-23-41(34)47)27-31(29-32)48-42-24-11-6-17-35(42)36-18-7-12-25-43(36)48;1-40(2,3)34-23-31(24-35(27-34)41(4,5)6)29-20-30(22-33(21-29)38-18-16-17-19-39(38)44(13,14)15)32-25-36(42(7,8)9)28-37(26-32)43(10,11)12;1-28(2,3)27-20(19-11-5-4-6-12-19)14-9-16-22(27)21-15-10-18-25-26(21)23-13-7-8-17-24(23)29-25;1-28(2,3)26-20(19-11-5-4-6-12-19)14-9-15-22(26)24-17-10-16-23-21-13-7-8-18-25(21)29-27(23)24;1-28(2,3)27-17-11-10-16-26(27)25-19-23(21-12-6-4-7-13-21)18-24(20-25)22-14-8-5-9-15-22/h4-29H,1-3H3;16-28H,1-15H3;2*4-18H,1-3H3;4-20H,1-3H3
InChIKeyIYMQXFAGABIJES-UHFFFAOYSA-N
XLogP49.87
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms179
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002332.27
LogP ≤ 549.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene with MolForge

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Related Compounds

1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran
CID 165087419
12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612099
1-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]dibenzofuran;4-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]dibenzofuran;4-[2-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]dibenzofuran
CID 158026718
12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole
CID 170688597
12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 170277606
9-(6-dibenzofuran-1-yldibenzofuran-3-yl)carbazole
CID 170688633
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran
CID 167289333
6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 146368988
18-(3,5-diphenylphenyl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 122465775
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
CID 122492294

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene?
The IUPAC name of 1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene (CID 158843150) is 1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene.
What is the SMILES notation for 1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene?
The canonical SMILES for 1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene is CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2oc3ccccc3c12.CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3ccccc3C(C)(C)C)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cccc2c3ccccc3n(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c12.CC(C)(C)c1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene?
The InChIKey is IYMQXFAGABIJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N3.C44H58.2C28H24O.C28H26/c1-46(2,3)39-21-14-20-38-37-19-8-13-26-44(37)49(45(38)39)32-28-30(47-40-22-9-4-15-33(40)34-16-5-10-23-41(34)47)27-31(29-32)48-42-24-11-6-17-35(42)36-18-7-12-25-43(36)48;1-40(2,3)34-23-31(24-35(27-34)41(4,5)6)29-20-30(22-33(21-29)38-18-16-17-19-39(38)44(13,14)15)32-25-36(42(7,8)9)28-37(26-32)43(10,11)12;1-28(2,3)27-20(19-11-5-4-6-12-19)14-9-16-22(27)21-15-10-18-25-26(21)23-13-7-8-17-24(23)29-25;1-28(2,3)26-20(19-11-5-4-6-12-19)14-9-15-22(26)24-17-10-16-23-21-13-7-8-18-25(21)29-27(23)24;1-28(2,3)27-17-11-10-16-26(27)25-19-23(21-12-6-4-7-13-21)18-24(20-25)22-14-8-5-9-15-22/h4-29H,1-3H3;16-28H,1-15H3;2*4-18H,1-3H3;4-20H,1-3H3.
What are the key properties of 1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene?
1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene has a molecular weight of 2332.27 g/mol, XLogP of 49.87, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene is sourced from PubChem (CID 158843150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).