N,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine

C52H32N2S — CID 129038166

IUPACN,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine
SMILESc1ccc2c(N(c3ccc4c(c3)c3c5ccccc5c5c6ccccc6sc5c3n4-c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C52H32N2S/c1-4-20-37-33(14-1)17-11-26-44(37)53(45-27-12-18-34-15-2-5-21-38(34)45)36-30-31-47-43(32-36)49-40-23-7-8-24-41(40)50-42-25-9-10-29-48(42)55-52(50)51(49)54(47)46-28-13-19-35-16-3-6-22-39(35)46/h1-32H
InChIKeyWDWDNBODOCDCFL-UHFFFAOYSA-N
MW716.91 g/mol
LogP15.23
Rot. Bonds4

About N,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine

N,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine (PubChem CID 129038166) has the molecular formula C52H32N2S and a molecular weight of 716.91 g/mol. Its IUPAC name is N,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine.

Molecular Properties

Compound NameN,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine
PubChem CID129038166
Molecular FormulaC52H32N2S
Molecular Weight716.91 g/mol
Exact Mass716.23
IUPAC NameN,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine
SMILESc1ccc2c(N(c3ccc4c(c3)c3c5ccccc5c5c6ccccc6sc5c3n4-c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C52H32N2S/c1-4-20-37-33(14-1)17-11-26-44(37)53(45-27-12-18-34-15-2-5-21-38(34)45)36-30-31-47-43(32-36)49-40-23-7-8-24-41(40)50-42-25-9-10-29-48(42)55-52(50)51(49)54(47)46-28-13-19-35-16-3-6-22-39(35)46/h1-32H
InChIKeyWDWDNBODOCDCFL-UHFFFAOYSA-N
XLogP15.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.91
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine with MolForge

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Related Compounds

9-naphthalen-1-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118503133
24-naphthalen-1-yl-20-[4-[4-(24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)naphthalen-1-yl]naphthalen-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-naphthalen-2-yl-20-[4-[4-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)naphthalen-1-yl]naphthalen-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 158769929
20-(9,9-dimethylfluoren-2-yl)-24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 129038129
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-bis(9-naphthalen-1-ylcarbazol-3-yl)anthracene-9,10-diamine
CID 58273929
N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine
CID 122578629
6-methyl-N,9-dinaphthalen-1-yl-N-phenylcarbazol-3-amine
CID 58827494
N-dibenzothiophen-1-yl-N-naphthalen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280690
N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
CID 170666257
N,N-dinaphthalen-1-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N-dinaphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 160959389
24-(4-phenylphenyl)-20-[4-[24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 129038210
5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole
CID 134530430
5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260048

Frequently Asked Questions

What is the IUPAC name of N,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine?
The IUPAC name of N,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine (CID 129038166) is N,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine.
What is the SMILES notation for N,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine?
The canonical SMILES for N,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine is c1ccc2c(N(c3ccc4c(c3)c3c5ccccc5c5c6ccccc6sc5c3n4-c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1.
What is the InChIKey of N,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine?
The InChIKey is WDWDNBODOCDCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2S/c1-4-20-37-33(14-1)17-11-26-44(37)53(45-27-12-18-34-15-2-5-21-38(34)45)36-30-31-47-43(32-36)49-40-23-7-8-24-41(40)50-42-25-9-10-29-48(42)55-52(50)51(49)54(47)46-28-13-19-35-16-3-6-22-39(35)46/h1-32H.
What are the key properties of N,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine?
N,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine has a molecular weight of 716.91 g/mol, XLogP of 15.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine is sourced from PubChem (CID 129038166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).