3,10-bis(2,3,4,5,6-pentadeuteriophenyl)-6-N,17-N,17-N-triphenyl-6-N-(6-phenyl-1-benzofuran-5-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene-6,17-diamine

C64H42N2O — CID 171728088

IUPAC3,10-bis(2,3,4,5,6-pentadeuteriophenyl)-6-N,17-N,17-N-triphenyl-6-N-(6-phenyl-1-benzofuran-5-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene-6,17-diamine
SMILES[2H]c1c([2H])c([2H])c(-c2c3c(c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4cc(N(c5ccccc5)c5cc6ccoc6cc5-c5ccccc5)ccc24)-c2cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc2-3)c([2H])c1[2H]
InChIInChI=1S/C64H42N2O/c1-7-19-43(20-8-1)55-42-60-47(35-36-67-60)40-59(55)66(51-29-17-6-18-30-51)53-33-34-54-58(41-53)62(45-23-11-3-12-24-45)64-57-39-48-37-52(65(49-25-13-4-14-26-49)50-27-15-5-16-28-50)32-31-46(48)38-56(57)63(64)61(54)44-21-9-2-10-22-44/h1-42H/i2D,3D,9D,10D,11D,12D,21D,22D,23D,24D
InChIKeyPIPODAWFQIDKFT-WENAKLOTSA-N
MW865.11 g/mol
LogP18.33
Rot. Bonds9

About 3,10-bis(2,3,4,5,6-pentadeuteriophenyl)-6-N,17-N,17-N-triphenyl-6-N-(6-phenyl-1-benzofuran-5-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene-6,17-diamine

3,10-bis(2,3,4,5,6-pentadeuteriophenyl)-6-N,17-N,17-N-triphenyl-6-N-(6-phenyl-1-benzofuran-5-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene-6,17-diamine (PubChem CID 171728088) has the molecular formula C64H42N2O and a molecular weight of 865.11 g/mol. Its IUPAC name is 3,10-bis(2,3,4,5,6-pentadeuteriophenyl)-6-N,17-N,17-N-triphenyl-6-N-(6-phenyl-1-benzofuran-5-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene-6,17-diamine.

Molecular Properties

Compound Name3,10-bis(2,3,4,5,6-pentadeuteriophenyl)-6-N,17-N,17-N-triphenyl-6-N-(6-phenyl-1-benzofuran-5-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene-6,17-diamine
PubChem CID171728088
Molecular FormulaC64H42N2O
Molecular Weight865.11 g/mol
Exact Mass864.39
IUPAC Name3,10-bis(2,3,4,5,6-pentadeuteriophenyl)-6-N,17-N,17-N-triphenyl-6-N-(6-phenyl-1-benzofuran-5-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene-6,17-diamine
SMILES[2H]c1c([2H])c([2H])c(-c2c3c(c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4cc(N(c5ccccc5)c5cc6ccoc6cc5-c5ccccc5)ccc24)-c2cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc2-3)c([2H])c1[2H]
InChIInChI=1S/C64H42N2O/c1-7-19-43(20-8-1)55-42-60-47(35-36-67-60)40-59(55)66(51-29-17-6-18-30-51)53-33-34-54-58(41-53)62(45-23-11-3-12-24-45)64-57-39-48-37-52(65(49-25-13-4-14-26-49)50-27-15-5-16-28-50)32-31-46(48)38-56(57)63(64)61(54)44-21-9-2-10-22-44/h1-42H/i2D,3D,9D,10D,11D,12D,21D,22D,23D,24D
InChIKeyPIPODAWFQIDKFT-WENAKLOTSA-N
XLogP18.33
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.11
LogP ≤ 518.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,10-bis(2,3,4,5,6-pentadeuteriophenyl)-6-N,17-N,17-N-triphenyl-6-N-(6-phenyl-1-benzofuran-5-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene-6,17-diamine with MolForge

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Related Compounds

N-(2,5-diphenylphenyl)-N,13,20-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166031902
23-N-(2,3,4,5,6-pentadeuteriophenyl)-9-N-[7-(2,3,4,5,6-pentadeuteriophenyl)-1-benzofuran-6-yl]-9-N-phenyl-23-N-(7-phenyl-1-benzofuran-6-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 171728806
N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine
CID 166033125
13,20-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166032727
N,N,4,11-tetraphenylhexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine
CID 166032864
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
N-[16-(2,3,4,5,6-pentadeuteriophenyl)-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl]-N-phenyldibenzofuran-4-amine
CID 166032595
2-N,6-N-dinaphthalen-1-yl-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,6-N,9,10-tetranaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 157149374
6-N,6-N,16-N,16-N,3,10,13,20-octakis-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
CID 166033321
2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163
3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176588172
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178

Frequently Asked Questions

What is the IUPAC name of 3,10-bis(2,3,4,5,6-pentadeuteriophenyl)-6-N,17-N,17-N-triphenyl-6-N-(6-phenyl-1-benzofuran-5-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene-6,17-diamine?
The IUPAC name of 3,10-bis(2,3,4,5,6-pentadeuteriophenyl)-6-N,17-N,17-N-triphenyl-6-N-(6-phenyl-1-benzofuran-5-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene-6,17-diamine (CID 171728088) is 3,10-bis(2,3,4,5,6-pentadeuteriophenyl)-6-N,17-N,17-N-triphenyl-6-N-(6-phenyl-1-benzofuran-5-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene-6,17-diamine.
What is the SMILES notation for 3,10-bis(2,3,4,5,6-pentadeuteriophenyl)-6-N,17-N,17-N-triphenyl-6-N-(6-phenyl-1-benzofuran-5-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene-6,17-diamine?
The canonical SMILES for 3,10-bis(2,3,4,5,6-pentadeuteriophenyl)-6-N,17-N,17-N-triphenyl-6-N-(6-phenyl-1-benzofuran-5-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene-6,17-diamine is [2H]c1c([2H])c([2H])c(-c2c3c(c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4cc(N(c5ccccc5)c5cc6ccoc6cc5-c5ccccc5)ccc24)-c2cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc2-3)c([2H])c1[2H].
What is the InChIKey of 3,10-bis(2,3,4,5,6-pentadeuteriophenyl)-6-N,17-N,17-N-triphenyl-6-N-(6-phenyl-1-benzofuran-5-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene-6,17-diamine?
The InChIKey is PIPODAWFQIDKFT-WENAKLOTSA-N. The full InChI is InChI=1S/C64H42N2O/c1-7-19-43(20-8-1)55-42-60-47(35-36-67-60)40-59(55)66(51-29-17-6-18-30-51)53-33-34-54-58(41-53)62(45-23-11-3-12-24-45)64-57-39-48-37-52(65(49-25-13-4-14-26-49)50-27-15-5-16-28-50)32-31-46(48)38-56(57)63(64)61(54)44-21-9-2-10-22-44/h1-42H/i2D,3D,9D,10D,11D,12D,21D,22D,23D,24D.
What are the key properties of 3,10-bis(2,3,4,5,6-pentadeuteriophenyl)-6-N,17-N,17-N-triphenyl-6-N-(6-phenyl-1-benzofuran-5-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene-6,17-diamine?
3,10-bis(2,3,4,5,6-pentadeuteriophenyl)-6-N,17-N,17-N-triphenyl-6-N-(6-phenyl-1-benzofuran-5-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene-6,17-diamine has a molecular weight of 865.11 g/mol, XLogP of 18.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-bis(2,3,4,5,6-pentadeuteriophenyl)-6-N,17-N,17-N-triphenyl-6-N-(6-phenyl-1-benzofuran-5-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene-6,17-diamine is sourced from PubChem (CID 171728088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).