8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine

C56H44N2S2 — CID 155359707

IUPAC8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
SMILESCc1cc(N(c2ccccc2)c2ccc3c(ccc4c5ccc6c7ccc8cc(N(c9ccccc9)c9cc(C)c(C)c(C)c9)ccc8c7sc6c5sc34)c2)cc(C)c1C
InChIInChI=1S/C56H44N2S2/c1-33-27-45(28-34(2)37(33)5)57(41-13-9-7-10-14-41)43-19-23-47-39(31-43)17-21-49-51-25-26-52-50-22-18-40-32-44(20-24-48(40)54(50)60-56(52)55(51)59-53(47)49)58(42-15-11-8-12-16-42)46-29-35(3)38(6)36(4)30-46/h7-32H,1-6H3
InChIKeyRHWTXBJULLNCAN-UHFFFAOYSA-N
MW809.12 g/mol
LogP17.52
Rot. Bonds6

About 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine

8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine (PubChem CID 155359707) has the molecular formula C56H44N2S2 and a molecular weight of 809.12 g/mol. Its IUPAC name is 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine.

Molecular Properties

Compound Name8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
PubChem CID155359707
Molecular FormulaC56H44N2S2
Molecular Weight809.12 g/mol
Exact Mass808.29
IUPAC Name8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
SMILESCc1cc(N(c2ccccc2)c2ccc3c(ccc4c5ccc6c7ccc8cc(N(c9ccccc9)c9cc(C)c(C)c(C)c9)ccc8c7sc6c5sc34)c2)cc(C)c1C
InChIInChI=1S/C56H44N2S2/c1-33-27-45(28-34(2)37(33)5)57(41-13-9-7-10-14-41)43-19-23-47-39(31-43)17-21-49-51-25-26-52-50-22-18-40-32-44(20-24-48(40)54(50)60-56(52)55(51)59-53(47)49)58(42-15-11-8-12-16-42)46-29-35(3)38(6)36(4)30-46/h7-32H,1-6H3
InChIKeyRHWTXBJULLNCAN-UHFFFAOYSA-N
XLogP17.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.12
LogP ≤ 517.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine with MolForge

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Related Compounds

8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
CID 155361978
4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 71210599
25,25-dimethyl-N-phenyl-N-(3,4,5-trimethylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine
CID 121431553
8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155361500
2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754908
7-N',7-N',17-N',17-N'-tetrakis(3,4,5-trimethylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 164938426
8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
CID 166856058
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854
8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-13,28-dithiaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
CID 155361329
5-N',20-N'-diphenyl-5-N',20-N'-bis(3,4,5-trimethylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine
CID 137493831
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
CID 59754872
2-N-dibenzothiophen-3-yl-2-N,7-N,7-N-triphenylphenanthrene-2,7-diamine
CID 170410437

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?
The IUPAC name of 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine (CID 155359707) is 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine.
What is the SMILES notation for 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?
The canonical SMILES for 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine is Cc1cc(N(c2ccccc2)c2ccc3c(ccc4c5ccc6c7ccc8cc(N(c9ccccc9)c9cc(C)c(C)c(C)c9)ccc8c7sc6c5sc34)c2)cc(C)c1C.
What is the InChIKey of 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?
The InChIKey is RHWTXBJULLNCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2S2/c1-33-27-45(28-34(2)37(33)5)57(41-13-9-7-10-14-41)43-19-23-47-39(31-43)17-21-49-51-25-26-52-50-22-18-40-32-44(20-24-48(40)54(50)60-56(52)55(51)59-53(47)49)58(42-15-11-8-12-16-42)46-29-35(3)38(6)36(4)30-46/h7-32H,1-6H3.
What are the key properties of 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?
8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine has a molecular weight of 809.12 g/mol, XLogP of 17.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine is sourced from PubChem (CID 155359707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).