17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine

C60H40N4 — CID 170246927

IUPAC17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3c4c(c2)c2cc5cc6c(cc5cc2n4Cc2ccccc2-3)c2cc(N(c3ccccc3)c3ccccc3)cc3c2n6Cc2ccccc2-3)cc1
InChIInChI=1S/C60H40N4/c1-5-19-43(20-6-1)63(44-21-7-2-8-22-44)47-33-53-49-27-15-13-17-39(49)37-61-57-31-42-30-52-56-36-48(64(45-23-9-3-10-24-45)46-25-11-4-12-26-46)34-54-50-28-16-14-18-40(50)38-62(60(54)56)58(52)32-41(42)29-51(57)55(35-47)59(53)61/h1-36H,37-38H2
InChIKeyARXCLGYUXOZOPD-UHFFFAOYSA-N
MW817.01 g/mol
LogP16.05
Rot. Bonds6

About 17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine

17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine (PubChem CID 170246927) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is 17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine.

Molecular Properties

Compound Name17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine
PubChem CID170246927
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC Name17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3c4c(c2)c2cc5cc6c(cc5cc2n4Cc2ccccc2-3)c2cc(N(c3ccccc3)c3ccccc3)cc3c2n6Cc2ccccc2-3)cc1
InChIInChI=1S/C60H40N4/c1-5-19-43(20-6-1)63(44-21-7-2-8-22-44)47-33-53-49-27-15-13-17-39(49)37-61-57-31-42-30-52-56-36-48(64(45-23-9-3-10-24-45)46-25-11-4-12-26-46)34-54-50-28-16-14-18-40(50)38-62(60(54)56)58(52)32-41(42)29-51(57)55(35-47)59(53)61/h1-36H,37-38H2
InChIKeyARXCLGYUXOZOPD-UHFFFAOYSA-N
XLogP16.05
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine with MolForge

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Related Compounds

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CID 170246889
N,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine
CID 123485955
14-chloro-6-N,6-N,22-N,22-N-tetraphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine
CID 146376627
6-N,16-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)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166031794
9-methyl-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
CID 121465213
N,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline
CID 121386055
N,N-diphenyl-9H-fluoren-2-amine
CID 20734444
N-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 169006702
N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 126631207
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 164936474
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine;N-(9H-fluoren-3-yl)-N-phenyl-9H-carbazol-3-amine
CID 158936176
4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916

Frequently Asked Questions

What is the IUPAC name of 17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine?
The IUPAC name of 17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine (CID 170246927) is 17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine.
What is the SMILES notation for 17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine?
The canonical SMILES for 17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine is c1ccc(N(c2ccccc2)c2cc3c4c(c2)c2cc5cc6c(cc5cc2n4Cc2ccccc2-3)c2cc(N(c3ccccc3)c3ccccc3)cc3c2n6Cc2ccccc2-3)cc1.
What is the InChIKey of 17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine?
The InChIKey is ARXCLGYUXOZOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-5-19-43(20-6-1)63(44-21-7-2-8-22-44)47-33-53-49-27-15-13-17-39(49)37-61-57-31-42-30-52-56-36-48(64(45-23-9-3-10-24-45)46-25-11-4-12-26-46)34-54-50-28-16-14-18-40(50)38-62(60(54)56)58(52)32-41(42)29-51(57)55(35-47)59(53)61/h1-36H,37-38H2.
What are the key properties of 17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine?
17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine has a molecular weight of 817.01 g/mol, XLogP of 16.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine is sourced from PubChem (CID 170246927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).