9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[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

C52H36N2S2 — CID 155360437

IUPAC9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[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
SMILESCc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)sc2cc3sc5cc6cc(N(c7ccccc7)c7ccc(C)cc7)ccc6cc5c3cc24)cc1
InChIInChI=1S/C52H36N2S2/c1-33-13-19-41(20-14-33)53(39-9-5-3-6-10-39)43-23-17-35-27-45-47-31-48-46-28-36-18-24-44(54(40-11-7-4-8-12-40)42-21-15-34(2)16-22-42)26-38(36)30-50(46)56-52(48)32-51(47)55-49(45)29-37(35)25-43/h3-32H,1-2H3
InChIKeyVXAZWCGEUFOVQL-UHFFFAOYSA-N
MW753.01 g/mol
LogP16.29
Rot. Bonds6

About 9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[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

9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[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 (PubChem CID 155360437) has the molecular formula C52H36N2S2 and a molecular weight of 753.01 g/mol. Its IUPAC name is 9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[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.

Molecular Properties

Compound Name9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[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
PubChem CID155360437
Molecular FormulaC52H36N2S2
Molecular Weight753.01 g/mol
Exact Mass752.23
IUPAC Name9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[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
SMILESCc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)sc2cc3sc5cc6cc(N(c7ccccc7)c7ccc(C)cc7)ccc6cc5c3cc24)cc1
InChIInChI=1S/C52H36N2S2/c1-33-13-19-41(20-14-33)53(39-9-5-3-6-10-39)43-23-17-35-27-45-47-31-48-46-28-36-18-24-44(54(40-11-7-4-8-12-40)42-21-15-34(2)16-22-42)26-38(36)30-50(46)56-52(48)32-51(47)55-49(45)29-37(35)25-43/h3-32H,1-2H3
InChIKeyVXAZWCGEUFOVQL-UHFFFAOYSA-N
XLogP16.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.01
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-N,7-N,19-N,19-N-tetranaphthalen-2-yl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303342
N-(13,18-dithiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-yl)-N-(4-phenylphenyl)-13,18-dithiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine
CID 149367038
N-dibenzothiophen-3-yl-N-phenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-amine
CID 162475544
6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine
CID 90263647
N,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine
CID 170272709
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
N,N-diphenyl-17-thiahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-amine
CID 164721551
7-N-(7-methyldibenzothiophen-2-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 139422457
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-phenyl-N-(4-phenylphenyl)-17-thiahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-amine
CID 164721887
N,N-bis(naphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiol-3-amine
CID 159596394
4-N,4-N,17-N,17-N-tetrakis(4-methylphenyl)-35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(37),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28(36),29,31,33-octadecaene-4,17-diamine
CID 130465409

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[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?
The IUPAC name of 9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[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 155360437) is 9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[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.
What is the SMILES notation for 9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[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?
The canonical SMILES for 9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[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 is Cc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)sc2cc3sc5cc6cc(N(c7ccccc7)c7ccc(C)cc7)ccc6cc5c3cc24)cc1.
What is the InChIKey of 9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[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?
The InChIKey is VXAZWCGEUFOVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2S2/c1-33-13-19-41(20-14-33)53(39-9-5-3-6-10-39)43-23-17-35-27-45-47-31-48-46-28-36-18-24-44(54(40-11-7-4-8-12-40)42-21-15-34(2)16-22-42)26-38(36)30-50(46)56-52(48)32-51(47)55-49(45)29-37(35)25-43/h3-32H,1-2H3.
What are the key properties of 9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[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?
9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[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 has a molecular weight of 753.01 g/mol, XLogP of 16.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dithiaheptacyclo[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 is sourced from PubChem (CID 155360437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).