N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine

C32H21N3 — CID 153286367

IUPACN,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c4c5ccccc5n5c6ccccc6n(c23)c45)cc1
InChIInChI=1S/C32H21N3/c1-3-12-22(13-4-1)33(23-14-5-2-6-15-23)29-21-11-17-25-30-24-16-7-8-18-26(24)34-27-19-9-10-20-28(27)35(31(25)29)32(30)34/h1-21H
InChIKeyXLAKIZLUNHMWHU-UHFFFAOYSA-N
MW447.54 g/mol
LogP8.56
Rot. Bonds3

About N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine

N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine (PubChem CID 153286367) has the molecular formula C32H21N3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine.

Molecular Properties

Compound NameN,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine
PubChem CID153286367
Molecular FormulaC32H21N3
Molecular Weight447.54 g/mol
Exact Mass447.17
IUPAC NameN,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c4c5ccccc5n5c6ccccc6n(c23)c45)cc1
InChIInChI=1S/C32H21N3/c1-3-12-22(13-4-1)33(23-14-5-2-6-15-23)29-21-11-17-25-30-24-16-7-8-18-26(24)34-27-19-9-10-20-28(27)35(31(25)29)32(30)34/h1-21H
InChIKeyXLAKIZLUNHMWHU-UHFFFAOYSA-N
XLogP8.56
TPSA12.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine with MolForge

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Related Compounds

N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine
CID 153286390
N-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N,4-diphenylaniline
CID 153286399
N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine
CID 153286374
N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine
CID 162191743
N,N-diphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8(13),9,11,14(36),15,17,20,22,25,27,29,31(35),32-heptadecaen-9-amine
CID 169056077
N-phenyl-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-4-amine
CID 153286359
9-methyl-N,N-diphenylcarbazol-1-amine
CID 126631131
6-N,14-N-bis(4-tert-butylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
CID 146376272
17-N,17-N,26-N,26-N-tetraphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.032,37.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31(39),32,34,36-nonadecaene-17,26-diamine
CID 169056236
N,N-diphenyl-5,18,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,26.027,35.028,33.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27(35),28,30,32-heptadecaen-7-amine
CID 169055730
6-N,6-N,21-N,21-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine
CID 154591207
5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine
CID 176726932

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine?
The IUPAC name of N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine (CID 153286367) is N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine.
What is the SMILES notation for N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine?
The canonical SMILES for N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine is c1ccc(N(c2ccccc2)c2cccc3c4c5ccccc5n5c6ccccc6n(c23)c45)cc1.
What is the InChIKey of N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine?
The InChIKey is XLAKIZLUNHMWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3/c1-3-12-22(13-4-1)33(23-14-5-2-6-15-23)29-21-11-17-25-30-24-16-7-8-18-26(24)34-27-19-9-10-20-28(27)35(31(25)29)32(30)34/h1-21H.
What are the key properties of N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine?
N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine has a molecular weight of 447.54 g/mol, XLogP of 8.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-10-amine is sourced from PubChem (CID 153286367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).