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

C52H33NS2 — CID 164960640

IUPACN-[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
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4c5ccc5sc6ccccc6c54)c3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C52H33NS2/c1-3-13-34(14-4-1)35-25-27-38(28-26-35)53(47-31-29-40(36-15-5-2-6-16-36)42-19-7-8-20-43(42)47)39-18-11-17-37(33-39)41-22-12-23-44-45-30-32-49-50(52(45)55-51(41)44)46-21-9-10-24-48(46)54-49/h1-33H
InChIKeyZMVOOMBWQGAHIO-UHFFFAOYSA-N
MW735.98 g/mol
LogP16.05
Rot. Bonds6

About 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

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 (PubChem CID 164960640) has the molecular formula C52H33NS2 and a molecular weight of 735.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID164960640
Molecular FormulaC52H33NS2
Molecular Weight735.98 g/mol
Exact Mass735.21
IUPAC NameN-[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
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4c5ccc5sc6ccccc6c54)c3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C52H33NS2/c1-3-13-34(14-4-1)35-25-27-38(28-26-35)53(47-31-29-40(36-15-5-2-6-16-36)42-19-7-8-20-43(42)47)39-18-11-17-37(33-39)41-22-12-23-44-45-30-32-49-50(52(45)55-51(41)44)46-21-9-10-24-48(46)54-49/h1-33H
InChIKeyZMVOOMBWQGAHIO-UHFFFAOYSA-N
XLogP16.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.98
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine
CID 88988857
3-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 165085961
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-[4-(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]-N-phenylphenanthren-3-amine
CID 165003854
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine;N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
CID 165032773
N-[4-(9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 153300486
2-[3-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167086686
N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 164744330
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)pyren-1-amine
CID 58462027
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397362
N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine
CID 129085320

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4c5ccc5sc6ccccc6c54)c3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is ZMVOOMBWQGAHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS2/c1-3-13-34(14-4-1)35-25-27-38(28-26-35)53(47-31-29-40(36-15-5-2-6-16-36)42-19-7-8-20-43(42)47)39-18-11-17-37(33-39)41-22-12-23-44-45-30-32-49-50(52(45)55-51(41)44)46-21-9-10-24-48(46)54-49/h1-33H.
What are the key properties of 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?
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 has a molecular weight of 735.98 g/mol, XLogP of 16.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164960640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).