2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine

C154H130N10O — CID 157129034

IUPAC2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)n3)c1-2.CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)c1-2.CC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)cc(-c3ccccc3)cc21
InChIInChI=1S/C54H39N3.C50H46N4.C50H45N3O/c1-54(2)48-34-42(38-21-11-5-12-22-38)29-30-46(48)50-47(33-45(35-49(50)54)39-23-13-6-14-24-39)53-56-51(43-27-15-25-40(31-43)36-17-7-3-8-18-36)55-52(57-53)44-28-16-26-41(32-44)37-19-9-4-10-20-37;1-48(2,3)33-24-25-37-40(29-33)50(7,8)41-30-34(49(4,5)6)28-39(44(37)41)47-52-45(31-17-11-9-12-18-31)51-46(53-47)32-23-26-43-38(27-32)36-21-15-16-22-42(36)54(43)35-19-13-10-14-20-35;1-48(2,3)33-25-26-38-40(28-33)50(7,8)41-29-34(49(4,5)6)27-39(43(38)41)47-52-45(31-15-10-9-11-16-31)51-46(53-47)32-23-21-30(22-24-32)35-18-14-19-37-36-17-12-13-20-42(36)54-44(35)37/h3-35H,1-2H3;9-30H,1-8H3;9-29H,1-8H3
InChIKeyAIVNMTSUHXGDBD-UHFFFAOYSA-N
MW2136.80 g/mol
LogP40.06
Rot. Bonds15

About 2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine

2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine (PubChem CID 157129034) has the molecular formula C154H130N10O and a molecular weight of 2136.80 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
PubChem CID157129034
Molecular FormulaC154H130N10O
Molecular Weight2136.80 g/mol
Exact Mass2135.04
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)n3)c1-2.CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)c1-2.CC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)cc(-c3ccccc3)cc21
InChIInChI=1S/C54H39N3.C50H46N4.C50H45N3O/c1-54(2)48-34-42(38-21-11-5-12-22-38)29-30-46(48)50-47(33-45(35-49(50)54)39-23-13-6-14-24-39)53-56-51(43-27-15-25-40(31-43)36-17-7-3-8-18-36)55-52(57-53)44-28-16-26-41(32-44)37-19-9-4-10-20-37;1-48(2,3)33-24-25-37-40(29-33)50(7,8)41-30-34(49(4,5)6)28-39(44(37)41)47-52-45(31-17-11-9-12-18-31)51-46(53-47)32-23-26-43-38(27-32)36-21-15-16-22-42(36)54(43)35-19-13-10-14-20-35;1-48(2,3)33-25-26-38-40(28-33)50(7,8)41-29-34(49(4,5)6)27-39(43(38)41)47-52-45(31-15-10-9-11-16-31)51-46(53-47)32-23-21-30(22-24-32)35-18-14-19-37-36-17-12-13-20-42(36)54-44(35)37/h3-35H,1-2H3;9-30H,1-8H3;9-29H,1-8H3
InChIKeyAIVNMTSUHXGDBD-UHFFFAOYSA-N
XLogP40.06
TPSA134.08 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms165
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002136.80
LogP ≤ 540.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine (CID 157129034) is 2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)n3)c1-2.CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)c1-2.CC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)cc(-c3ccccc3)cc21.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is AIVNMTSUHXGDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N3.C50H46N4.C50H45N3O/c1-54(2)48-34-42(38-21-11-5-12-22-38)29-30-46(48)50-47(33-45(35-49(50)54)39-23-13-6-14-24-39)53-56-51(43-27-15-25-40(31-43)36-17-7-3-8-18-36)55-52(57-53)44-28-16-26-41(32-44)37-19-9-4-10-20-37;1-48(2,3)33-24-25-37-40(29-33)50(7,8)41-30-34(49(4,5)6)28-39(44(37)41)47-52-45(31-17-11-9-12-18-31)51-46(53-47)32-23-26-43-38(27-32)36-21-15-16-22-42(36)54(43)35-19-13-10-14-20-35;1-48(2,3)33-25-26-38-40(28-33)50(7,8)41-29-34(49(4,5)6)27-39(43(38)41)47-52-45(31-15-10-9-11-16-31)51-46(53-47)32-23-21-30(22-24-32)35-18-14-19-37-36-17-12-13-20-42(36)54-44(35)37/h3-35H,1-2H3;9-30H,1-8H3;9-29H,1-8H3.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 2136.80 g/mol, XLogP of 40.06, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylphenyl)-4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;3-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 157129034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).