10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine

C52H34N2S — CID 90263885

IUPAC10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cc3ccccc3c3c2sc2c(N(c4ccccc4)c4ccc5ccccc5c4)cc4ccccc4c23)cc1
InChIInChI=1S/C52H34N2S/c1-3-21-41(22-4-1)53(43-29-27-35-15-7-9-17-37(35)31-43)47-33-39-19-11-13-25-45(39)49-50-46-26-14-12-20-40(46)34-48(52(50)55-51(47)49)54(42-23-5-2-6-24-42)44-30-28-36-16-8-10-18-38(36)32-44/h1-34H
InChIKeyFYFARLKUOHURAE-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.61
Rot. Bonds6

About 10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine

10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine (PubChem CID 90263885) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is 10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine.

Molecular Properties

Compound Name10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
PubChem CID90263885
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC Name10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cc3ccccc3c3c2sc2c(N(c4ccccc4)c4ccc5ccccc5c4)cc4ccccc4c23)cc1
InChIInChI=1S/C52H34N2S/c1-3-21-41(22-4-1)53(43-29-27-35-15-7-9-17-37(35)31-43)47-33-39-19-11-13-25-45(39)49-50-46-26-14-12-20-40(46)34-48(52(50)55-51(47)49)54(42-23-5-2-6-24-42)44-30-28-36-16-8-10-18-38(36)32-44/h1-34H
InChIKeyFYFARLKUOHURAE-UHFFFAOYSA-N
XLogP15.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.93
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine with MolForge

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Related Compounds

N-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine
CID 170040717
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
1-N-naphthalen-2-yl-1-N,4-N,4-N,7-N,7-N-pentakis-phenyldibenzothiophene-1,4,7-triamine
CID 162473451
8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
CID 166856058
N-[3-(3,5-dichlorophenyl)phenyl]-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine
CID 146588857
N-naphthalen-2-yl-N-[4-[(E)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenyl]phenanthren-9-amine
CID 89067533
N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine
CID 167182762
N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 121296524
N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
CID 90263592
N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine
CID 59690812
N-chrysen-5-yl-N-phenylnaphtho[2,3-b][1]benzothiol-9-amine
CID 170140707
N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine
CID 90263616

Frequently Asked Questions

What is the IUPAC name of 10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
The IUPAC name of 10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine (CID 90263885) is 10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine.
What is the SMILES notation for 10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
The canonical SMILES for 10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine is c1ccc(N(c2ccc3ccccc3c2)c2cc3ccccc3c3c2sc2c(N(c4ccccc4)c4ccc5ccccc5c4)cc4ccccc4c23)cc1.
What is the InChIKey of 10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
The InChIKey is FYFARLKUOHURAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-3-21-41(22-4-1)53(43-29-27-35-15-7-9-17-37(35)31-43)47-33-39-19-11-13-25-45(39)49-50-46-26-14-12-20-40(46)34-48(52(50)55-51(47)49)54(42-23-5-2-6-24-42)44-30-28-36-16-8-10-18-38(36)32-44/h1-34H.
What are the key properties of 10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine has a molecular weight of 718.93 g/mol, XLogP of 15.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine is sourced from PubChem (CID 90263885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).