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

C62H40N2S2 — CID 155361978

IUPAC8-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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(ccc5c6ccc7c8ccc9cc(N(c%10ccccc%10)c%10ccc(-c%11ccccc%11)cc%10)ccc9c8sc7c6sc45)c3)cc2)cc1
InChIInChI=1S/C62H40N2S2/c1-5-13-41(14-6-1)43-21-27-49(28-22-43)63(47-17-9-3-10-18-47)51-31-35-53-45(39-51)25-33-55-57-37-38-58-56-34-26-46-40-52(32-36-54(46)60(56)66-62(58)61(57)65-59(53)55)64(48-19-11-4-12-20-48)50-29-23-44(24-30-50)42-15-7-2-8-16-42/h1-40H
InChIKeyORLBJBODBAINDG-UHFFFAOYSA-N
MW877.15 g/mol
LogP19.00
Rot. Bonds8

About 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

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 (PubChem CID 155361978) has the molecular formula C62H40N2S2 and a molecular weight of 877.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID155361978
Molecular FormulaC62H40N2S2
Molecular Weight877.15 g/mol
Exact Mass876.26
IUPAC Name8-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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(ccc5c6ccc7c8ccc9cc(N(c%10ccccc%10)c%10ccc(-c%11ccccc%11)cc%10)ccc9c8sc7c6sc45)c3)cc2)cc1
InChIInChI=1S/C62H40N2S2/c1-5-13-41(14-6-1)43-21-27-49(28-22-43)63(47-17-9-3-10-18-47)51-31-35-53-45(39-51)25-33-55-57-37-38-58-56-34-26-46-40-52(32-36-54(46)60(56)66-62(58)61(57)65-59(53)55)64(48-19-11-4-12-20-48)50-29-23-44(24-30-50)42-15-7-2-8-16-42/h1-40H
InChIKeyORLBJBODBAINDG-UHFFFAOYSA-N
XLogP19.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.15
LogP ≤ 519.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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CID 59754872
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,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
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,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
N-phenyl-N-(4-phenylphenyl)-9-thiahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine
CID 164721626
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851
N-phenyl-N-(3-phenylphenyl)-16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-amine
CID 164721434
2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754908
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 121296524
N-benzo[g]phenanthren-3-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167183460

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(ccc5c6ccc7c8ccc9cc(N(c%10ccccc%10)c%10ccc(-c%11ccccc%11)cc%10)ccc9c8sc7c6sc45)c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is ORLBJBODBAINDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2S2/c1-5-13-41(14-6-1)43-21-27-49(28-22-43)63(47-17-9-3-10-18-47)51-31-35-53-45(39-51)25-33-55-57-37-38-58-56-34-26-46-40-52(32-36-54(46)60(56)66-62(58)61(57)65-59(53)55)64(48-19-11-4-12-20-48)50-29-23-44(24-30-50)42-15-7-2-8-16-42/h1-40H.
What are the key properties of 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?
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 has a molecular weight of 877.15 g/mol, XLogP of 19.00, 8 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(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 is sourced from PubChem (CID 155361978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).