4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine

C144H108N6 — CID 160518735

IUPAC4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccncc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccncn4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ncncn4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21
InChIInChI=1S/C49H37N.C48H36N2.C47H35N3/c1-48(2)43-16-10-8-12-35(43)40-28-33(19-22-44(40)48)47-38-14-6-5-13-37(38)46(30-23-25-50-26-24-30)39-21-18-31(27-41(39)47)32-17-20-36-34-11-7-9-15-42(34)49(3,4)45(36)29-32;1-47(2)41-16-10-8-12-33(41)38-26-31(19-22-42(38)47)45-35-13-5-6-14-36(35)46(44-23-24-49-28-50-44)37-21-18-29(25-39(37)45)30-17-20-34-32-11-7-9-15-40(32)48(3,4)43(34)27-30;1-46(2)40-16-10-8-12-32(40)37-24-30(19-22-41(37)46)43-34-13-5-6-14-35(34)44(45-49-26-48-27-50-45)36-21-18-28(23-38(36)43)29-17-20-33-31-11-7-9-15-39(31)47(3,4)42(33)25-29/h5-29H,1-4H3;5-28H,1-4H3;5-27H,1-4H3
InChIKeyQTZLNDFDEHTOBV-UHFFFAOYSA-N
MW1922.49 g/mol
LogP37.19
Rot. Bonds9

About 4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine

4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine (PubChem CID 160518735) has the molecular formula C144H108N6 and a molecular weight of 1922.49 g/mol. Its IUPAC name is 4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine.

Molecular Properties

Compound Name4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine
PubChem CID160518735
Molecular FormulaC144H108N6
Molecular Weight1922.49 g/mol
Exact Mass1920.86
IUPAC Name4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccncc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccncn4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ncncn4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21
InChIInChI=1S/C49H37N.C48H36N2.C47H35N3/c1-48(2)43-16-10-8-12-35(43)40-28-33(19-22-44(40)48)47-38-14-6-5-13-37(38)46(30-23-25-50-26-24-30)39-21-18-31(27-41(39)47)32-17-20-36-34-11-7-9-15-42(34)49(3,4)45(36)29-32;1-47(2)41-16-10-8-12-33(41)38-26-31(19-22-42(38)47)45-35-13-5-6-14-36(35)46(44-23-24-49-28-50-44)37-21-18-29(25-39(37)45)30-17-20-34-32-11-7-9-15-40(32)48(3,4)43(34)27-30;1-46(2)40-16-10-8-12-32(40)37-24-30(19-22-41(37)46)43-34-13-5-6-14-35(34)44(45-49-26-48-27-50-45)36-21-18-28(23-38(36)43)29-17-20-33-31-11-7-9-15-39(31)47(3,4)42(33)25-29/h5-29H,1-4H3;5-28H,1-4H3;5-27H,1-4H3
InChIKeyQTZLNDFDEHTOBV-UHFFFAOYSA-N
XLogP37.19
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001922.49
LogP ≤ 537.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine with MolForge

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Related Compounds

4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine
CID 59195491
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]pyrimidine
CID 59195618
4-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]pyridine
CID 59194825
2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine
CID 59195756
2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine
CID 59195620
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
2'-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
CID 59195936
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine
CID 59196063
2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 59196207
2-(9,9-dimethylfluoren-3-yl)-1,3,5-triazine
CID 142724944
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 161493004

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine?
The IUPAC name of 4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine (CID 160518735) is 4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine.
What is the SMILES notation for 4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine?
The canonical SMILES for 4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccncc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccncn4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ncncn4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21.
What is the InChIKey of 4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine?
The InChIKey is QTZLNDFDEHTOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N.C48H36N2.C47H35N3/c1-48(2)43-16-10-8-12-35(43)40-28-33(19-22-44(40)48)47-38-14-6-5-13-37(38)46(30-23-25-50-26-24-30)39-21-18-31(27-41(39)47)32-17-20-36-34-11-7-9-15-42(34)49(3,4)45(36)29-32;1-47(2)41-16-10-8-12-33(41)38-26-31(19-22-42(38)47)45-35-13-5-6-14-36(35)46(44-23-24-49-28-50-44)37-21-18-29(25-39(37)45)30-17-20-34-32-11-7-9-15-40(32)48(3,4)43(34)27-30;1-46(2)40-16-10-8-12-32(40)37-24-30(19-22-41(37)46)43-34-13-5-6-14-35(34)44(45-49-26-48-27-50-45)36-21-18-28(23-38(36)43)29-17-20-33-31-11-7-9-15-39(31)47(3,4)42(33)25-29/h5-29H,1-4H3;5-28H,1-4H3;5-27H,1-4H3.
What are the key properties of 4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine?
4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine has a molecular weight of 1922.49 g/mol, XLogP of 37.19, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine is sourced from PubChem (CID 160518735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).