N,N-diphenyl-4-[21-[4-(N-phenylanilino)naphthalen-1-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]naphthalen-1-amine

C66H42N2S2 — CID 59182727

IUPACN,N-diphenyl-4-[21-[4-(N-phenylanilino)naphthalen-1-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]naphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)sc3c5sc6cc(-c7ccc(N(c8ccccc8)c8ccccc8)c8ccccc78)ccc6c5c5ccccc5c43)c3ccccc23)cc1
InChIInChI=1S/C66H42N2S2/c1-5-19-45(20-6-1)67(46-21-7-2-8-22-46)59-39-37-49(51-27-13-15-29-53(51)59)43-33-35-57-61(41-43)69-65-63(57)55-31-17-18-32-56(55)64-58-36-34-44(42-62(58)70-66(64)65)50-38-40-60(54-30-16-14-28-52(50)54)68(47-23-9-3-10-24-47)48-25-11-4-12-26-48/h1-42H
InChIKeyUKRLDIWJENDPSO-UHFFFAOYSA-N
MW927.21 g/mol
LogP20.16
Rot. Bonds8

About N,N-diphenyl-4-[21-[4-(N-phenylanilino)naphthalen-1-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]naphthalen-1-amine

N,N-diphenyl-4-[21-[4-(N-phenylanilino)naphthalen-1-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]naphthalen-1-amine (PubChem CID 59182727) has the molecular formula C66H42N2S2 and a molecular weight of 927.21 g/mol. Its IUPAC name is N,N-diphenyl-4-[21-[4-(N-phenylanilino)naphthalen-1-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]naphthalen-1-amine.

Molecular Properties

Compound NameN,N-diphenyl-4-[21-[4-(N-phenylanilino)naphthalen-1-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]naphthalen-1-amine
PubChem CID59182727
Molecular FormulaC66H42N2S2
Molecular Weight927.21 g/mol
Exact Mass926.28
IUPAC NameN,N-diphenyl-4-[21-[4-(N-phenylanilino)naphthalen-1-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]naphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)sc3c5sc6cc(-c7ccc(N(c8ccccc8)c8ccccc8)c8ccccc78)ccc6c5c5ccccc5c43)c3ccccc23)cc1
InChIInChI=1S/C66H42N2S2/c1-5-19-45(20-6-1)67(46-21-7-2-8-22-46)59-39-37-49(51-27-13-15-29-53(51)59)43-33-35-57-61(41-43)69-65-63(57)55-31-17-18-32-56(55)64-58-36-34-44(42-62(58)70-66(64)65)50-38-40-60(54-30-16-14-28-52(50)54)68(47-23-9-3-10-24-47)48-25-11-4-12-26-48/h1-42H
InChIKeyUKRLDIWJENDPSO-UHFFFAOYSA-N
XLogP20.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.21
LogP ≤ 520.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diphenyl-4-[21-[4-(N-phenylanilino)naphthalen-1-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]naphthalen-1-amine with MolForge

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Related Compounds

4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine
CID 177116926
N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine
CID 129085320
1-N-dibenzothiophen-3-yl-4-N-phenyl-4-N-(4-phenylnaphthalen-1-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177116967
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-3-amine
CID 153299795
N,N-diphenyl-18-[4-(N-(2-phenylphenyl)anilino)phenyl]-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-decaen-5-amine
CID 121260127
N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 171434495
18-phenyl-5-(4-phenylnaphthalen-1-yl)-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
CID 118933567
N,N-diphenyl-4-[18-[4-(N-phenylanilino)phenyl]-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-decaen-5-yl]aniline
CID 121260223
5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-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 121259945
N-[3-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 164960640
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 71126719
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine
CID 88988857

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[21-[4-(N-phenylanilino)naphthalen-1-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]naphthalen-1-amine?
The IUPAC name of N,N-diphenyl-4-[21-[4-(N-phenylanilino)naphthalen-1-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]naphthalen-1-amine (CID 59182727) is N,N-diphenyl-4-[21-[4-(N-phenylanilino)naphthalen-1-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]naphthalen-1-amine.
What is the SMILES notation for N,N-diphenyl-4-[21-[4-(N-phenylanilino)naphthalen-1-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]naphthalen-1-amine?
The canonical SMILES for N,N-diphenyl-4-[21-[4-(N-phenylanilino)naphthalen-1-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]naphthalen-1-amine is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)sc3c5sc6cc(-c7ccc(N(c8ccccc8)c8ccccc8)c8ccccc78)ccc6c5c5ccccc5c43)c3ccccc23)cc1.
What is the InChIKey of N,N-diphenyl-4-[21-[4-(N-phenylanilino)naphthalen-1-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]naphthalen-1-amine?
The InChIKey is UKRLDIWJENDPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2S2/c1-5-19-45(20-6-1)67(46-21-7-2-8-22-46)59-39-37-49(51-27-13-15-29-53(51)59)43-33-35-57-61(41-43)69-65-63(57)55-31-17-18-32-56(55)64-58-36-34-44(42-62(58)70-66(64)65)50-38-40-60(54-30-16-14-28-52(50)54)68(47-23-9-3-10-24-47)48-25-11-4-12-26-48/h1-42H.
What are the key properties of N,N-diphenyl-4-[21-[4-(N-phenylanilino)naphthalen-1-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]naphthalen-1-amine?
N,N-diphenyl-4-[21-[4-(N-phenylanilino)naphthalen-1-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]naphthalen-1-amine has a molecular weight of 927.21 g/mol, XLogP of 20.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[21-[4-(N-phenylanilino)naphthalen-1-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]naphthalen-1-amine is sourced from PubChem (CID 59182727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).