10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]

C59H46N2 — CID 171799183

IUPAC10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
SMILESCC(C)(C)c1ccc(-c2cccc(N3c4ccccc4C4(c5ccccc5N(c5ccc(-c6ccccc6)cc5)c5ccccc54)c4cc(-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C59H46N2/c1-58(2,3)47-34-29-44(30-35-47)45-21-16-22-49(39-45)61-56-28-15-12-25-52(56)59(53-40-46(33-38-57(53)61)42-19-8-5-9-20-42)50-23-10-13-26-54(50)60(55-27-14-11-24-51(55)59)48-36-31-43(32-37-48)41-17-6-4-7-18-41/h4-40H,1-3H3
InChIKeyIOCLAYGRFNTTOK-UHFFFAOYSA-N
MW783.03 g/mol
LogP15.93
Rot. Bonds5

About 10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]

10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine] (PubChem CID 171799183) has the molecular formula C59H46N2 and a molecular weight of 783.03 g/mol. Its IUPAC name is 10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine].

Molecular Properties

Compound Name10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
PubChem CID171799183
Molecular FormulaC59H46N2
Molecular Weight783.03 g/mol
Exact Mass782.37
IUPAC Name10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
SMILESCC(C)(C)c1ccc(-c2cccc(N3c4ccccc4C4(c5ccccc5N(c5ccc(-c6ccccc6)cc5)c5ccccc54)c4cc(-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C59H46N2/c1-58(2,3)47-34-29-44(30-35-47)45-21-16-22-49(39-45)61-56-28-15-12-25-52(56)59(53-40-46(33-38-57(53)61)42-19-8-5-9-20-42)50-23-10-13-26-54(50)60(55-27-14-11-24-51(55)59)48-36-31-43(32-37-48)41-17-6-4-7-18-41/h4-40H,1-3H3
InChIKeyIOCLAYGRFNTTOK-UHFFFAOYSA-N
XLogP15.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.03
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine]
CID 176670445
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene
CID 176670386
2-tert-butyl-10'-dibenzofuran-3-yl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 176670412
10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465139
CID 155427841
CID 155427841
2'-fluoro-10,10'-bis(4-phenylphenyl)-2-(trifluoromethyl)-9,9'-spirobi[acridine]
CID 176670484
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine
CID 142356251
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-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989

Frequently Asked Questions

What is the IUPAC name of 10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]?
The IUPAC name of 10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine] (CID 171799183) is 10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine].
What is the SMILES notation for 10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]?
The canonical SMILES for 10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine] is CC(C)(C)c1ccc(-c2cccc(N3c4ccccc4C4(c5ccccc5N(c5ccc(-c6ccccc6)cc5)c5ccccc54)c4cc(-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]?
The InChIKey is IOCLAYGRFNTTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46N2/c1-58(2,3)47-34-29-44(30-35-47)45-21-16-22-49(39-45)61-56-28-15-12-25-52(56)59(53-40-46(33-38-57(53)61)42-19-8-5-9-20-42)50-23-10-13-26-54(50)60(55-27-14-11-24-51(55)59)48-36-31-43(32-37-48)41-17-6-4-7-18-41/h4-40H,1-3H3.
What are the key properties of 10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]?
10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine] has a molecular weight of 783.03 g/mol, XLogP of 15.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine] is sourced from PubChem (CID 171799183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).