6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine

C46H30N2S2 — CID 163713903

IUPAC6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc4ccc5sc6cc(N(c7ccccc7)c7ccccc7)ccc6c5c4c23)cc1
InChIInChI=1S/C46H30N2S2/c1-5-13-32(14-6-1)47(33-15-7-2-8-16-33)36-23-25-38-42(29-36)49-40-27-21-31-22-28-41-46(44(31)45(38)40)39-26-24-37(30-43(39)50-41)48(34-17-9-3-10-18-34)35-19-11-4-12-20-35/h1-30H
InChIKeyKLQIYYCVYUSIRW-UHFFFAOYSA-N
MW674.89 g/mol
LogP14.52
Rot. Bonds6

About 6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine

6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine (PubChem CID 163713903) has the molecular formula C46H30N2S2 and a molecular weight of 674.89 g/mol. Its IUPAC name is 6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine.

Molecular Properties

Compound Name6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine
PubChem CID163713903
Molecular FormulaC46H30N2S2
Molecular Weight674.89 g/mol
Exact Mass674.19
IUPAC Name6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc4ccc5sc6cc(N(c7ccccc7)c7ccccc7)ccc6c5c4c23)cc1
InChIInChI=1S/C46H30N2S2/c1-5-13-32(14-6-1)47(33-15-7-2-8-16-33)36-23-25-38-42(29-36)49-40-27-21-31-22-28-41-46(44(31)45(38)40)39-26-24-37(30-43(39)50-41)48(34-17-9-3-10-18-34)35-19-11-4-12-20-35/h1-30H
InChIKeyKLQIYYCVYUSIRW-UHFFFAOYSA-N
XLogP14.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.89
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine with MolForge

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Related Compounds

N-benzo[g]phenanthren-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 167182764
N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine
CID 170039484
7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146573607
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 167184091
N-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 90263557
N,N-diphenyl-22-thiahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-amine
CID 164721928
2-N-dibenzothiophen-3-yl-2-N,7-N,7-N-triphenylphenanthrene-2,7-diamine
CID 170410437
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
4-(N-naphtho[2,1-b][1]benzothiol-9-ylanilino)benzonitrile
CID 90266675
7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
CID 134553264
N-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-2-amine
CID 170037216
2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine
CID 146576040

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine?
The IUPAC name of 6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine (CID 163713903) is 6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine.
What is the SMILES notation for 6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine?
The canonical SMILES for 6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc4ccc5sc6cc(N(c7ccccc7)c7ccccc7)ccc6c5c4c23)cc1.
What is the InChIKey of 6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine?
The InChIKey is KLQIYYCVYUSIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2S2/c1-5-13-32(14-6-1)47(33-15-7-2-8-16-33)36-23-25-38-42(29-36)49-40-27-21-31-22-28-41-46(44(31)45(38)40)39-26-24-37(30-43(39)50-41)48(34-17-9-3-10-18-34)35-19-11-4-12-20-35/h1-30H.
What are the key properties of 6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine?
6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine has a molecular weight of 674.89 g/mol, XLogP of 14.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine is sourced from PubChem (CID 163713903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).