2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine

C54H60N2 — CID 137396596

IUPAC2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine
SMILESCC1C2=C(C=CC1c1cccc(C3(c4cccc(-c5ccc6c(c5)C(C)(C)C(C)(C)C6(C)C)n4)c4ccccc4-c4ccccc43)n1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C54H60N2/c1-33-35(29-31-41-47(33)51(8,9)53(12,13)49(41,4)5)44-25-19-27-46(56-44)54(38-22-16-14-20-36(38)37-21-15-17-23-39(37)54)45-26-18-24-43(55-45)34-28-30-40-42(32-34)50(6,7)52(10,11)48(40,2)3/h14-33,35H,1-13H3
InChIKeyXJUYZFUMSRCFDU-UHFFFAOYSA-N
MW737.09 g/mol
LogP13.78
Rot. Bonds4

About 2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine

2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine (PubChem CID 137396596) has the molecular formula C54H60N2 and a molecular weight of 737.09 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine
PubChem CID137396596
Molecular FormulaC54H60N2
Molecular Weight737.09 g/mol
Exact Mass736.48
IUPAC Name2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine
SMILESCC1C2=C(C=CC1c1cccc(C3(c4cccc(-c5ccc6c(c5)C(C)(C)C(C)(C)C6(C)C)n4)c4ccccc4-c4ccccc43)n1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C54H60N2/c1-33-35(29-31-41-47(33)51(8,9)53(12,13)49(41,4)5)44-25-19-27-46(56-44)54(38-22-16-14-20-36(38)37-21-15-17-23-39(37)54)45-26-18-24-43(55-45)34-28-30-40-42(32-34)50(6,7)52(10,11)48(40,2)3/h14-33,35H,1-13H3
InChIKeyXJUYZFUMSRCFDU-UHFFFAOYSA-N
XLogP13.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.09
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine with MolForge

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Related Compounds

2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine
CID 118155099
2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
CID 90076872
2-[fluoro-bis[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]methyl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
CID 140676999
2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine
CID 162425382
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline
CID 154982020
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine
CID 118857536
2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol
CID 140806096
2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine
CID 118895356
5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
CID 153422803
2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine
CID 175358146
7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene]
CID 58756119

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine?
The IUPAC name of 2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine (CID 137396596) is 2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine.
What is the SMILES notation for 2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine?
The canonical SMILES for 2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine is CC1C2=C(C=CC1c1cccc(C3(c4cccc(-c5ccc6c(c5)C(C)(C)C(C)(C)C6(C)C)n4)c4ccccc4-c4ccccc43)n1)C(C)(C)C(C)(C)C2(C)C.
What is the InChIKey of 2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine?
The InChIKey is XJUYZFUMSRCFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H60N2/c1-33-35(29-31-41-47(33)51(8,9)53(12,13)49(41,4)5)44-25-19-27-46(56-44)54(38-22-16-14-20-36(38)37-21-15-17-23-39(37)54)45-26-18-24-43(55-45)34-28-30-40-42(32-34)50(6,7)52(10,11)48(40,2)3/h14-33,35H,1-13H3.
What are the key properties of 2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine?
2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine has a molecular weight of 737.09 g/mol, XLogP of 13.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine is sourced from PubChem (CID 137396596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).