9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

C148H97N11OS2 — CID 157180549

IUPAC9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)n3)cc21.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc(-c6ccc7sc8ccccc8c7c6)cc5c5ncccc54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)n2)cc1
InChIInChI=1S/C58H41N3O.C51H32N4S.C39H24N4S/c1-57(2)46-17-9-5-13-38(46)40-25-21-36(31-48(40)57)50-33-51(37-22-26-41-39-14-6-10-18-47(39)58(3,4)49(41)32-37)60-56(59-50)61-52-19-11-7-15-42(52)44-29-34(23-27-53(44)61)35-24-28-55-45(30-35)43-16-8-12-20-54(43)62-55;1-3-10-33(11-4-1)35-17-21-37(22-18-35)44-32-45(38-23-19-36(20-24-38)34-12-5-2-6-13-34)54-51(53-44)55-46-27-25-39(31-43(46)50-47(55)15-9-29-52-50)40-26-28-49-42(30-40)41-14-7-8-16-48(41)56-49;1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)43-33-17-9-7-15-29(33)31-23-27(19-21-34(31)43)28-20-22-36-32(24-28)30-16-8-10-18-35(30)44-36/h5-33H,1-4H3;1-32H;1-24H
InChIKeyAONFAZFQNLKOKP-UHFFFAOYSA-N
MW2109.61 g/mol
LogP39.10
Rot. Bonds14

About 9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 157180549) has the molecular formula C148H97N11OS2 and a molecular weight of 2109.61 g/mol. Its IUPAC name is 9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID157180549
Molecular FormulaC148H97N11OS2
Molecular Weight2109.61 g/mol
Exact Mass2107.73
IUPAC Name9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)n3)cc21.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc(-c6ccc7sc8ccccc8c7c6)cc5c5ncccc54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)n2)cc1
InChIInChI=1S/C58H41N3O.C51H32N4S.C39H24N4S/c1-57(2)46-17-9-5-13-38(46)40-25-21-36(31-48(40)57)50-33-51(37-22-26-41-39-14-6-10-18-47(39)58(3,4)49(41)32-37)60-56(59-50)61-52-19-11-7-15-42(52)44-29-34(23-27-53(44)61)35-24-28-55-45(30-35)43-16-8-12-20-54(43)62-55;1-3-10-33(11-4-1)35-17-21-37(22-18-35)44-32-45(38-23-19-36(20-24-38)34-12-5-2-6-13-34)54-51(53-44)55-46-27-25-39(31-43(46)50-47(55)15-9-29-52-50)40-26-28-49-42(30-40)41-14-7-8-16-48(41)56-49;1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)43-33-17-9-7-15-29(33)31-23-27(19-21-34(31)43)28-20-22-36-32(24-28)30-16-8-10-18-35(30)44-36/h5-33H,1-4H3;1-32H;1-24H
InChIKeyAONFAZFQNLKOKP-UHFFFAOYSA-N
XLogP39.10
TPSA131.05 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002109.61
LogP ≤ 539.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 157180549) is 9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)n3)cc21.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc(-c6ccc7sc8ccccc8c7c6)cc5c5ncccc54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)n2)cc1.
What is the InChIKey of 9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is AONFAZFQNLKOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3O.C51H32N4S.C39H24N4S/c1-57(2)46-17-9-5-13-38(46)40-25-21-36(31-48(40)57)50-33-51(37-22-26-41-39-14-6-10-18-47(39)58(3,4)49(41)32-37)60-56(59-50)61-52-19-11-7-15-42(52)44-29-34(23-27-53(44)61)35-24-28-55-45(30-35)43-16-8-12-20-54(43)62-55;1-3-10-33(11-4-1)35-17-21-37(22-18-35)44-32-45(38-23-19-36(20-24-38)34-12-5-2-6-13-34)54-51(53-44)55-46-27-25-39(31-43(46)50-47(55)15-9-29-52-50)40-26-28-49-42(30-40)41-14-7-8-16-48(41)56-49;1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)43-33-17-9-7-15-29(33)31-23-27(19-21-34(31)43)28-20-22-36-32(24-28)30-16-8-10-18-35(30)44-36/h5-33H,1-4H3;1-32H;1-24H.
What are the key properties of 9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 2109.61 g/mol, XLogP of 39.10, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-8-dibenzothiophen-2-ylpyrido[3,2-b]indole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 157180549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).