5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol

C46H42N4O — CID 171580025

IUPAC5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol
SMILESCc1ccc2c(c1)N(c1ccc(N(c3ccccc3)c3ccccc3)cn1)c1cc(-c3ccc4c(C(C)(C)C)ccc(O)c4n3)ccc1C2(C)C
InChIInChI=1S/C46H42N4O/c1-30-17-21-37-40(27-30)50(43-26-19-34(29-47-43)49(32-13-9-7-10-14-32)33-15-11-8-12-16-33)41-28-31(18-22-38(41)46(37,5)6)39-24-20-35-36(45(2,3)4)23-25-42(51)44(35)48-39/h7-29,51H,1-6H3
InChIKeyBYXRYPATZDVKDA-UHFFFAOYSA-N
MW666.87 g/mol
LogP12.19
Rot. Bonds5

About 5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol

5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol (PubChem CID 171580025) has the molecular formula C46H42N4O and a molecular weight of 666.87 g/mol. Its IUPAC name is 5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol.

Molecular Properties

Compound Name5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol
PubChem CID171580025
Molecular FormulaC46H42N4O
Molecular Weight666.87 g/mol
Exact Mass666.34
IUPAC Name5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol
SMILESCc1ccc2c(c1)N(c1ccc(N(c3ccccc3)c3ccccc3)cn1)c1cc(-c3ccc4c(C(C)(C)C)ccc(O)c4n3)ccc1C2(C)C
InChIInChI=1S/C46H42N4O/c1-30-17-21-37-40(27-30)50(43-26-19-34(29-47-43)49(32-13-9-7-10-14-32)33-15-11-8-12-16-33)41-28-31(18-22-38(41)46(37,5)6)39-24-20-35-36(45(2,3)4)23-25-42(51)44(35)48-39/h7-29,51H,1-6H3
InChIKeyBYXRYPATZDVKDA-UHFFFAOYSA-N
XLogP12.19
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.87
LogP ≤ 512.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol
CID 171579955
5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171580210
2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol
CID 171580342
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-5-(2-phenylethynyl)quinolin-8-ol
CID 171580421
5-(dimethylamino)-2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171579788
9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine
CID 129089141
3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinolin-5-ol
CID 171580330
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum
CID 171579771
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile
CID 171579963
15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol
CID 171580001
2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol
CID 171580112
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol?
The IUPAC name of 5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol (CID 171580025) is 5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol.
What is the SMILES notation for 5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol?
The canonical SMILES for 5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol is Cc1ccc2c(c1)N(c1ccc(N(c3ccccc3)c3ccccc3)cn1)c1cc(-c3ccc4c(C(C)(C)C)ccc(O)c4n3)ccc1C2(C)C.
What is the InChIKey of 5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol?
The InChIKey is BYXRYPATZDVKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42N4O/c1-30-17-21-37-40(27-30)50(43-26-19-34(29-47-43)49(32-13-9-7-10-14-32)33-15-11-8-12-16-33)41-28-31(18-22-38(41)46(37,5)6)39-24-20-35-36(45(2,3)4)23-25-42(51)44(35)48-39/h7-29,51H,1-6H3.
What are the key properties of 5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol?
5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol has a molecular weight of 666.87 g/mol, XLogP of 12.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol is sourced from PubChem (CID 171580025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).