N-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine

C46H37N5 — CID 140754905

IUPACN-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine
SMILESCC1(C)c2ccccc2N(c2ccccn2)c2cc(N(c3ccccc3)c3ccc4c5cccc6c5n(c4c3)-c3ncccc3C6(C)C)ccc21
InChIInChI=1S/C46H37N5/c1-45(2)35-17-8-9-20-39(35)50(42-21-10-11-26-47-42)41-29-32(23-25-36(41)45)49(30-14-6-5-7-15-30)31-22-24-33-34-16-12-18-37-43(34)51(40(33)28-31)44-38(46(37,3)4)19-13-27-48-44/h5-29H,1-4H3
InChIKeyRELXATNTHGWVFE-UHFFFAOYSA-N
MW659.84 g/mol
LogP11.79
Rot. Bonds4

About N-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine

N-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine (PubChem CID 140754905) has the molecular formula C46H37N5 and a molecular weight of 659.84 g/mol. Its IUPAC name is N-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine
PubChem CID140754905
Molecular FormulaC46H37N5
Molecular Weight659.84 g/mol
Exact Mass659.30
IUPAC NameN-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine
SMILESCC1(C)c2ccccc2N(c2ccccn2)c2cc(N(c3ccccc3)c3ccc4c5cccc6c5n(c4c3)-c3ncccc3C6(C)C)ccc21
InChIInChI=1S/C46H37N5/c1-45(2)35-17-8-9-20-39(35)50(42-21-10-11-26-47-42)41-29-32(23-25-36(41)45)49(30-14-6-5-7-15-30)31-22-24-33-34-16-12-18-37-43(34)51(40(33)28-31)44-38(46(37,3)4)19-13-27-48-44/h5-29H,1-4H3
InChIKeyRELXATNTHGWVFE-UHFFFAOYSA-N
XLogP11.79
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.84
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine with MolForge

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Related Compounds

10-tert-butyl-N-(10-tert-butyl-13,13-dimethyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine
CID 140754930
13,13-dimethyl-N,N-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 67325570
3-N-(26,26-dimethyl-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-17-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 171416795
13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70893337
13,13-dimethyl-N-(3-methylphenyl)-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70886309
N-(3,5-dimethylphenyl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70892951
9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine
CID 154589708
9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 118539189
4-(N-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)anilino)benzonitrile
CID 70885552
4-N-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 71036435
10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene]-2'-amine
CID 135140047
9,9-dimethyl-10-pyridin-2-ylacridin-3-ol
CID 118539200

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine?
The IUPAC name of N-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine (CID 140754905) is N-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine.
What is the SMILES notation for N-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine?
The canonical SMILES for N-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine is CC1(C)c2ccccc2N(c2ccccn2)c2cc(N(c3ccccc3)c3ccc4c5cccc6c5n(c4c3)-c3ncccc3C6(C)C)ccc21.
What is the InChIKey of N-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine?
The InChIKey is RELXATNTHGWVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37N5/c1-45(2)35-17-8-9-20-39(35)50(42-21-10-11-26-47-42)41-29-32(23-25-36(41)45)49(30-14-6-5-7-15-30)31-22-24-33-34-16-12-18-37-43(34)51(40(33)28-31)44-38(46(37,3)4)19-13-27-48-44/h5-29H,1-4H3.
What are the key properties of N-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine?
N-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine has a molecular weight of 659.84 g/mol, XLogP of 11.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine is sourced from PubChem (CID 140754905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).