5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine

C136H93N3 — CID 157482101

IUPAC5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)nc3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)nc4)cc3)cc21.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cn3)c3ccccc23)cc1
InChIInChI=1S/C50H31N.C46H33N.C40H29N/c1-2-15-32(16-3-1)47-38-20-4-6-22-40(38)48(41-23-7-5-21-39(41)47)46-30-29-33(31-51-46)34-24-14-25-42-37-19-10-13-28-45(37)50(49(34)42)43-26-11-8-17-35(43)36-18-9-12-27-44(36)50;1-46(2)41-19-11-10-14-35(41)36-26-24-33(28-42(36)46)30-20-22-31(23-21-30)34-25-27-43(47-29-34)45-39-17-8-6-15-37(39)44(32-12-4-3-5-13-32)38-16-7-9-18-40(38)45;1-40(2)34-21-11-10-19-33(34)38-28(20-12-22-35(38)40)27-23-24-36(41-25-27)39-31-17-8-6-15-29(31)37(26-13-4-3-5-14-26)30-16-7-9-18-32(30)39/h1-31H;3-29H,1-2H3;3-25H,1-2H3
InChIKeyBWGWRBGOBCKWAU-UHFFFAOYSA-N
MW1769.26 g/mol
LogP35.79
Rot. Bonds10

About 5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine

5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine (PubChem CID 157482101) has the molecular formula C136H93N3 and a molecular weight of 1769.26 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine.

Molecular Properties

Compound Name5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine
PubChem CID157482101
Molecular FormulaC136H93N3
Molecular Weight1769.26 g/mol
Exact Mass1767.74
IUPAC Name5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)nc3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)nc4)cc3)cc21.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cn3)c3ccccc23)cc1
InChIInChI=1S/C50H31N.C46H33N.C40H29N/c1-2-15-32(16-3-1)47-38-20-4-6-22-40(38)48(41-23-7-5-21-39(41)47)46-30-29-33(31-51-46)34-24-14-25-42-37-19-10-13-28-45(37)50(49(34)42)43-26-11-8-17-35(43)36-18-9-12-27-44(36)50;1-46(2)41-19-11-10-14-35(41)36-26-24-33(28-42(36)46)30-20-22-31(23-21-30)34-25-27-43(47-29-34)45-39-17-8-6-15-37(39)44(32-12-4-3-5-13-32)38-16-7-9-18-40(38)45;1-40(2)34-21-11-10-19-33(34)38-28(20-12-22-35(38)40)27-23-24-36(41-25-27)39-31-17-8-6-15-29(31)37(26-13-4-3-5-14-26)30-16-7-9-18-32(30)39/h1-31H;3-29H,1-2H3;3-25H,1-2H3
InChIKeyBWGWRBGOBCKWAU-UHFFFAOYSA-N
XLogP35.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001769.26
LogP ≤ 535.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine with MolForge

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Related Compounds

2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine
CID 153288517
2-(9,9-dimethylfluoren-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene
CID 142353650
5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 161017565
2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine
CID 134531010
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
2-(9,9-dimethylfluoren-2-yl)-5-phenylpyridine
CID 59859383
5-(10,10-dimethyl-14,21-diphenyl-5-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)-2-pyridin-2-ylpyridine
CID 58411776
7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 142353689
2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine]
CID 147563141
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine?
The IUPAC name of 5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine (CID 157482101) is 5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine.
What is the SMILES notation for 5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine?
The canonical SMILES for 5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine is CC1(C)c2ccccc2-c2c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)nc3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)nc4)cc3)cc21.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cn3)c3ccccc23)cc1.
What is the InChIKey of 5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine?
The InChIKey is BWGWRBGOBCKWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N.C46H33N.C40H29N/c1-2-15-32(16-3-1)47-38-20-4-6-22-40(38)48(41-23-7-5-21-39(41)47)46-30-29-33(31-51-46)34-24-14-25-42-37-19-10-13-28-45(37)50(49(34)42)43-26-11-8-17-35(43)36-18-9-12-27-44(36)50;1-46(2)41-19-11-10-14-35(41)36-26-24-33(28-42(36)46)30-20-22-31(23-21-30)34-25-27-43(47-29-34)45-39-17-8-6-15-37(39)44(32-12-4-3-5-13-32)38-16-7-9-18-40(38)45;1-40(2)34-21-11-10-19-33(34)38-28(20-12-22-35(38)40)27-23-24-36(41-25-27)39-31-17-8-6-15-29(31)37(26-13-4-3-5-14-26)30-16-7-9-18-32(30)39/h1-31H;3-29H,1-2H3;3-25H,1-2H3.
What are the key properties of 5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine?
5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine has a molecular weight of 1769.26 g/mol, XLogP of 35.79, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine is sourced from PubChem (CID 157482101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).