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

C36H23NS — CID 90263616

IUPACN-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
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cc3sc4cc5ccccc5cc4c3c3ccccc23)cc1
InChIInChI=1S/C36H23NS/c1-2-14-28(15-3-1)37(29-19-18-24-10-4-5-11-25(24)20-29)33-23-35-36(31-17-9-8-16-30(31)33)32-21-26-12-6-7-13-27(26)22-34(32)38-35/h1-23H
InChIKeyIZEQDHAQBOLLFC-UHFFFAOYSA-N
MW501.65 g/mol
LogP10.98
Rot. Bonds3

About 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

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 (PubChem CID 90263616) has the molecular formula C36H23NS and a molecular weight of 501.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID90263616
Molecular FormulaC36H23NS
Molecular Weight501.65 g/mol
Exact Mass501.16
IUPAC NameN-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
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cc3sc4cc5ccccc5cc4c3c3ccccc23)cc1
InChIInChI=1S/C36H23NS/c1-2-14-28(15-3-1)37(29-19-18-24-10-4-5-11-25(24)20-29)33-23-35-36(31-17-9-8-16-30(31)33)32-21-26-12-6-7-13-27(26)22-34(32)38-35/h1-23H
InChIKeyIZEQDHAQBOLLFC-UHFFFAOYSA-N
XLogP10.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.65
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

5-N,9-N-dinaphthalen-2-yl-5-N,9-N-diphenylnaphtho[2,1-b][1]benzothiole-5,9-diamine
CID 122416705
1-N,3-N-dinaphthalen-2-yl-1-N-phenyl-3-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiole-1,3-diamine
CID 166856012
N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 90263727
9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine
CID 166856065
N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
CID 90263592
N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzothiol-8-amine
CID 167183532
N-chrysen-5-yl-N-phenylnaphtho[2,3-b][1]benzothiol-9-amine
CID 170140707
15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-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-9-amine
CID 121329648
N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
CID 170140481
1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 156522899
N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
CID 167086502
N,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine
CID 170272709

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc3ccccc3c2)c2cc3sc4cc5ccccc5cc4c3c3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is IZEQDHAQBOLLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NS/c1-2-14-28(15-3-1)37(29-19-18-24-10-4-5-11-25(24)20-29)33-23-35-36(31-17-9-8-16-30(31)33)32-21-26-12-6-7-13-27(26)22-34(32)38-35/h1-23H.
What are the key properties of 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?
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 has a molecular weight of 501.65 g/mol, XLogP of 10.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90263616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).