10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]

C63H46N2 — CID 118465139

IUPAC10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
SMILESCc1ccccc1-c1ccc(N2c3ccccc3C3(c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc43)c3cc(-c4ccccc4)ccc32)cc1C
InChIInChI=1S/C63H46N2/c1-43-18-12-13-25-53(43)54-37-36-52(40-44(54)2)65-60-29-17-15-27-56(60)63(58-42-50(33-39-62(58)65)47-23-10-5-11-24-47)55-26-14-16-28-59(55)64(51-34-30-48(31-35-51)45-19-6-3-7-20-45)61-38-32-49(41-57(61)63)46-21-8-4-9-22-46/h3-42H,1-2H3
InChIKeyIRYBWRVQOHCAEX-UHFFFAOYSA-N
MW831.08 g/mol
LogP16.92
Rot. Bonds6

About 10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]

10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine] (PubChem CID 118465139) has the molecular formula C63H46N2 and a molecular weight of 831.08 g/mol. Its IUPAC name is 10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine].

Molecular Properties

Compound Name10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
PubChem CID118465139
Molecular FormulaC63H46N2
Molecular Weight831.08 g/mol
Exact Mass830.37
IUPAC Name10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
SMILESCc1ccccc1-c1ccc(N2c3ccccc3C3(c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc43)c3cc(-c4ccccc4)ccc32)cc1C
InChIInChI=1S/C63H46N2/c1-43-18-12-13-25-53(43)54-37-36-52(40-44(54)2)65-60-29-17-15-27-56(60)63(58-42-50(33-39-62(58)65)47-23-10-5-11-24-47)55-26-14-16-28-59(55)64(51-34-30-48(31-35-51)45-19-6-3-7-20-45)61-38-32-49(41-57(61)63)46-21-8-4-9-22-46/h3-42H,1-2H3
InChIKeyIRYBWRVQOHCAEX-UHFFFAOYSA-N
XLogP16.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.08
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine] with MolForge

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Related Compounds

2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 171799183
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene
CID 176670386
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
CID 168750142
2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene]
CID 177278308
2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 158956061
10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine]
CID 118465174
3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
CID 145334426
10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine]
CID 118465119
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755

Frequently Asked Questions

What is the IUPAC name of 10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]?
The IUPAC name of 10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine] (CID 118465139) is 10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine].
What is the SMILES notation for 10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]?
The canonical SMILES for 10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine] is Cc1ccccc1-c1ccc(N2c3ccccc3C3(c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc43)c3cc(-c4ccccc4)ccc32)cc1C.
What is the InChIKey of 10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]?
The InChIKey is IRYBWRVQOHCAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-43-18-12-13-25-53(43)54-37-36-52(40-44(54)2)65-60-29-17-15-27-56(60)63(58-42-50(33-39-62(58)65)47-23-10-5-11-24-47)55-26-14-16-28-59(55)64(51-34-30-48(31-35-51)45-19-6-3-7-20-45)61-38-32-49(41-57(61)63)46-21-8-4-9-22-46/h3-42H,1-2H3.
What are the key properties of 10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]?
10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine] has a molecular weight of 831.08 g/mol, XLogP of 16.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine] is sourced from PubChem (CID 118465139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).