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

C46H27N3 — CID 169056077

IUPACN,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
SMILESc1ccc(N(c2ccccc2)c2cccc3c4cccc5c6cc7cc8c(cc7cc6n(c23)c54)c2cccc3c4ccccc4n8c32)cc1
InChIInChI=1S/C46H27N3/c1-3-12-30(13-4-1)47(31-14-5-2-6-15-31)41-23-11-21-35-34-18-10-20-37-39-25-28-26-42-38(24-29(28)27-43(39)49(45(34)37)46(35)41)36-19-9-17-33-32-16-7-8-22-40(32)48(42)44(33)36/h1-27H
InChIKeyVIMHXQYODHCVAM-UHFFFAOYSA-N
MW621.74 g/mol
LogP12.61
Rot. Bonds3

About 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

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 (PubChem CID 169056077) has the molecular formula C46H27N3 and a molecular weight of 621.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID169056077
Molecular FormulaC46H27N3
Molecular Weight621.74 g/mol
Exact Mass621.22
IUPAC NameN,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
SMILESc1ccc(N(c2ccccc2)c2cccc3c4cccc5c6cc7cc8c(cc7cc6n(c23)c54)c2cccc3c4ccccc4n8c32)cc1
InChIInChI=1S/C46H27N3/c1-3-12-30(13-4-1)47(31-14-5-2-6-15-31)41-23-11-21-35-34-18-10-20-37-39-25-28-26-42-38(24-29(28)27-43(39)49(45(34)37)46(35)41)36-19-9-17-33-32-16-7-8-22-40(32)48(42)44(33)36/h1-27H
InChIKeyVIMHXQYODHCVAM-UHFFFAOYSA-N
XLogP12.61
TPSA12.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.74
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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CID 169057199
N,N-diphenyl-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaen-26-amine
CID 169057335
9-methyl-N,N-diphenylcarbazol-1-amine
CID 126631131
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine
CID 118179927
N,N-diphenyl-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.032,37.016,40]tetraconta-1(38),2(19),3,6,8,10,12(40),13,15,17,21,23,25,27,29,31(39),32,34,36-nonadecaen-22-amine
CID 169056213
N,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine
CID 169056870
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
10-N,25-N-diphenyl-10-N,25-N-bis(3-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
CID 138746120
10-N,25-N-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-10-N,25-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine
CID 138745936
N,N-diphenyl-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.032,37.016,40]tetraconta-1(38),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31(39),32,34,36-nonadecaen-7-amine
CID 169056391
N-phenyl-N-[3-(2-phenylphenyl)phenyl]-1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-20-amine
CID 154936826
10-N,25-N-diphenyl-10-N,25-N-bis(3,4,5-trimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
CID 138745149

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2cccc3c4cccc5c6cc7cc8c(cc7cc6n(c23)c54)c2cccc3c4ccccc4n8c32)cc1.
What is the InChIKey of 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?
The InChIKey is VIMHXQYODHCVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3/c1-3-12-30(13-4-1)47(31-14-5-2-6-15-31)41-23-11-21-35-34-18-10-20-37-39-25-28-26-42-38(24-29(28)27-43(39)49(45(34)37)46(35)41)36-19-9-17-33-32-16-7-8-22-40(32)48(42)44(33)36/h1-27H.
What are the key properties of 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?
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 has a molecular weight of 621.74 g/mol, XLogP of 12.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169056077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).