[2-amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline

C101H96Br3N5O3 — CID 160949177

IUPAC[2-amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(Br)cc3)nc3ccc(-c4ccc5nc(-c6ccc(Br)cc6)cc(-c6ccc(C(C)(C)C)cc6)c5c4)cc23)cc1.CC(C)(C)c1ccc(C(=O)c2cc(-c3ccc(N)c(C(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2N)cc1.CC(C)(C)c1ccc(C(=O)c2cc(Br)ccc2N)cc1
InChIInChI=1S/C50H42Br2N2.C34H36N2O2.C17H18BrNO/c1-49(2,3)37-17-7-31(8-18-37)41-29-47(33-11-21-39(51)22-12-33)53-45-25-15-35(27-43(41)45)36-16-26-46-44(28-36)42(32-9-19-38(20-10-32)50(4,5)6)30-48(54-46)34-13-23-40(52)24-14-34;1-33(2,3)25-13-7-21(8-14-25)31(37)27-19-23(11-17-29(27)35)24-12-18-30(36)28(20-24)32(38)22-9-15-26(16-10-22)34(4,5)6;1-17(2,3)12-6-4-11(5-7-12)16(20)14-10-13(18)8-9-15(14)19/h7-30H,1-6H3;7-20H,35-36H2,1-6H3;4-10H,19H2,1-3H3
InChIKeySVNJBKBNFLGRNB-UHFFFAOYSA-N
MW1667.62 g/mol
LogP27.37
Rot. Bonds12

About [2-amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline

[2-amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline (PubChem CID 160949177) has the molecular formula C101H96Br3N5O3 and a molecular weight of 1667.62 g/mol. Its IUPAC name is [2-amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline.

Molecular Properties

Compound Name[2-amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline
PubChem CID160949177
Molecular FormulaC101H96Br3N5O3
Molecular Weight1667.62 g/mol
Exact Mass1663.51
IUPAC Name[2-amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(Br)cc3)nc3ccc(-c4ccc5nc(-c6ccc(Br)cc6)cc(-c6ccc(C(C)(C)C)cc6)c5c4)cc23)cc1.CC(C)(C)c1ccc(C(=O)c2cc(-c3ccc(N)c(C(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2N)cc1.CC(C)(C)c1ccc(C(=O)c2cc(Br)ccc2N)cc1
InChIInChI=1S/C50H42Br2N2.C34H36N2O2.C17H18BrNO/c1-49(2,3)37-17-7-31(8-18-37)41-29-47(33-11-21-39(51)22-12-33)53-45-25-15-35(27-43(41)45)36-16-26-46-44(28-36)42(32-9-19-38(20-10-32)50(4,5)6)30-48(54-46)34-13-23-40(52)24-14-34;1-33(2,3)25-13-7-21(8-14-25)31(37)27-19-23(11-17-29(27)35)24-12-18-30(36)28(20-24)32(38)22-9-15-26(16-10-22)34(4,5)6;1-17(2,3)12-6-4-11(5-7-12)16(20)14-10-13(18)8-9-15(14)19/h7-30H,1-6H3;7-20H,35-36H2,1-6H3;4-10H,19H2,1-3H3
InChIKeySVNJBKBNFLGRNB-UHFFFAOYSA-N
XLogP27.37
TPSA155.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001667.62
LogP ≤ 527.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [2-amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline with MolForge

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Related Compounds

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N,N'-bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]decanediamide
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US10117864, Example 36
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N,N'-bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]hexanediamide
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(E)-3-(3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-oxoprop-1-en-1-yl)quinolin-2(1H)-one
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CID 139068103
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[2-(2-Aminophenyl)-3-(4-bromophenyl)quinolin-4-yl]-(4-bromophenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of [2-amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline?
The IUPAC name of [2-amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline (CID 160949177) is [2-amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline.
What is the SMILES notation for [2-amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline?
The canonical SMILES for [2-amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline is CC(C)(C)c1ccc(-c2cc(-c3ccc(Br)cc3)nc3ccc(-c4ccc5nc(-c6ccc(Br)cc6)cc(-c6ccc(C(C)(C)C)cc6)c5c4)cc23)cc1.CC(C)(C)c1ccc(C(=O)c2cc(-c3ccc(N)c(C(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2N)cc1.CC(C)(C)c1ccc(C(=O)c2cc(Br)ccc2N)cc1.
What is the InChIKey of [2-amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline?
The InChIKey is SVNJBKBNFLGRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42Br2N2.C34H36N2O2.C17H18BrNO/c1-49(2,3)37-17-7-31(8-18-37)41-29-47(33-11-21-39(51)22-12-33)53-45-25-15-35(27-43(41)45)36-16-26-46-44(28-36)42(32-9-19-38(20-10-32)50(4,5)6)30-48(54-46)34-13-23-40(52)24-14-34;1-33(2,3)25-13-7-21(8-14-25)31(37)27-19-23(11-17-29(27)35)24-12-18-30(36)28(20-24)32(38)22-9-15-26(16-10-22)34(4,5)6;1-17(2,3)12-6-4-11(5-7-12)16(20)14-10-13(18)8-9-15(14)19/h7-30H,1-6H3;7-20H,35-36H2,1-6H3;4-10H,19H2,1-3H3.
What are the key properties of [2-amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline?
[2-amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline has a molecular weight of 1667.62 g/mol, XLogP of 27.37, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline is sourced from PubChem (CID 160949177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).