2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene

C56H51N — CID 176670386

IUPAC2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene
SMILESCc1ccc(-c2ccccc2)cc1.Cc1ccccc1C1(c2ccccc2C)c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C43H39N.C13H12/c1-30-15-9-11-19-36(30)43(37-20-12-10-16-31(37)2)38-21-13-14-22-40(38)44(41-28-25-34(29-39(41)43)42(3,4)5)35-26-23-33(24-27-35)32-17-7-6-8-18-32;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h6-29H,1-5H3;2-10H,1H3
InChIKeyMSAHXSFSAGPNPK-UHFFFAOYSA-N
MW738.03 g/mol
LogP15.10
Rot. Bonds5

About 2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene

2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene (PubChem CID 176670386) has the molecular formula C56H51N and a molecular weight of 738.03 g/mol. Its IUPAC name is 2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene.

Molecular Properties

Compound Name2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene
PubChem CID176670386
Molecular FormulaC56H51N
Molecular Weight738.03 g/mol
Exact Mass737.40
IUPAC Name2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene
SMILESCc1ccc(-c2ccccc2)cc1.Cc1ccccc1C1(c2ccccc2C)c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C43H39N.C13H12/c1-30-15-9-11-19-36(30)43(37-20-12-10-16-31(37)2)38-21-13-14-22-40(38)44(41-28-25-34(29-39(41)43)42(3,4)5)35-26-23-33(24-27-35)32-17-7-6-8-18-32;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h6-29H,1-5H3;2-10H,1H3
InChIKeyMSAHXSFSAGPNPK-UHFFFAOYSA-N
XLogP15.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.03
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 171799183
CID 58389434
CID 58389434
2-tert-butyl-10'-dibenzofuran-3-yl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 176670412
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
9,9-bis(2-methylphenyl)-10-phenylacridine
CID 59470095
10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465139
2'-fluoro-10,10'-bis(4-phenylphenyl)-2-(trifluoromethyl)-9,9'-spirobi[acridine]
CID 176670484
10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine]
CID 176670445
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
CID 135248210
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
CID 145334426

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene?
The IUPAC name of 2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene (CID 176670386) is 2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene.
What is the SMILES notation for 2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene?
The canonical SMILES for 2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene is Cc1ccc(-c2ccccc2)cc1.Cc1ccccc1C1(c2ccccc2C)c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(C(C)(C)C)cc21.
What is the InChIKey of 2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene?
The InChIKey is MSAHXSFSAGPNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39N.C13H12/c1-30-15-9-11-19-36(30)43(37-20-12-10-16-31(37)2)38-21-13-14-22-40(38)44(41-28-25-34(29-39(41)43)42(3,4)5)35-26-23-33(24-27-35)32-17-7-6-8-18-32;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h6-29H,1-5H3;2-10H,1H3.
What are the key properties of 2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene?
2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene has a molecular weight of 738.03 g/mol, XLogP of 15.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene is sourced from PubChem (CID 176670386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).