N-[4-[7-[4-(dinaphthalen-1-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

C66H50N4S — CID 59793430

IUPACN-[4-[7-[4-(dinaphthalen-1-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESCC12CCC(c3nc4c(-c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc5)sc(-c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc5)c4nc31)C2(C)C
InChIInChI=1S/C66H50N4S/c1-65(2)54-40-41-66(65,3)64-59(54)67-60-61(68-64)63(47-34-38-49(39-35-47)70(57-30-14-22-44-18-6-10-26-52(44)57)58-31-15-23-45-19-7-11-27-53(45)58)71-62(60)46-32-36-48(37-33-46)69(55-28-12-20-42-16-4-8-24-50(42)55)56-29-13-21-43-17-5-9-25-51(43)56/h4-39,54H,40-41H2,1-3H3
InChIKeyDTJGRWFXWJKTFL-UHFFFAOYSA-N
MW931.22 g/mol
LogP18.75
Rot. Bonds8

About N-[4-[7-[4-(dinaphthalen-1-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

N-[4-[7-[4-(dinaphthalen-1-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (PubChem CID 59793430) has the molecular formula C66H50N4S and a molecular weight of 931.22 g/mol. Its IUPAC name is N-[4-[7-[4-(dinaphthalen-1-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[7-[4-(dinaphthalen-1-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
PubChem CID59793430
Molecular FormulaC66H50N4S
Molecular Weight931.22 g/mol
Exact Mass930.38
IUPAC NameN-[4-[7-[4-(dinaphthalen-1-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESCC12CCC(c3nc4c(-c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc5)sc(-c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc5)c4nc31)C2(C)C
InChIInChI=1S/C66H50N4S/c1-65(2)54-40-41-66(65,3)64-59(54)67-60-61(68-64)63(47-34-38-49(39-35-47)70(57-30-14-22-44-18-6-10-26-52(44)57)58-31-15-23-45-19-7-11-27-53(45)58)71-62(60)46-32-36-48(37-33-46)69(55-28-12-20-42-16-4-8-24-50(42)55)56-29-13-21-43-17-5-9-25-51(43)56/h4-39,54H,40-41H2,1-3H3
InChIKeyDTJGRWFXWJKTFL-UHFFFAOYSA-N
XLogP18.75
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.22
LogP ≤ 518.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[7-[4-(dinaphthalen-1-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[4-(dinaphthalen-1-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The IUPAC name of N-[4-[7-[4-(dinaphthalen-1-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (CID 59793430) is N-[4-[7-[4-(dinaphthalen-1-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[7-[4-(dinaphthalen-1-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The canonical SMILES for N-[4-[7-[4-(dinaphthalen-1-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is CC12CCC(c3nc4c(-c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc5)sc(-c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc5)c4nc31)C2(C)C.
What is the InChIKey of N-[4-[7-[4-(dinaphthalen-1-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The InChIKey is DTJGRWFXWJKTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N4S/c1-65(2)54-40-41-66(65,3)64-59(54)67-60-61(68-64)63(47-34-38-49(39-35-47)70(57-30-14-22-44-18-6-10-26-52(44)57)58-31-15-23-45-19-7-11-27-53(45)58)71-62(60)46-32-36-48(37-33-46)69(55-28-12-20-42-16-4-8-24-50(42)55)56-29-13-21-43-17-5-9-25-51(43)56/h4-39,54H,40-41H2,1-3H3.
What are the key properties of N-[4-[7-[4-(dinaphthalen-1-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
N-[4-[7-[4-(dinaphthalen-1-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine has a molecular weight of 931.22 g/mol, XLogP of 18.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[4-(dinaphthalen-1-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is sourced from PubChem (CID 59793430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).