1,14,14-trimethyl-5-N,7-N-dinaphthalen-1-yl-5-N,7-N-diphenyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene-5,7-diamine

C46H38N4S — CID 59793422

IUPAC1,14,14-trimethyl-5-N,7-N-dinaphthalen-1-yl-5-N,7-N-diphenyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene-5,7-diamine
SMILESCC12CCC(c3nc4c(N(c5ccccc5)c5cccc6ccccc56)sc(N(c5ccccc5)c5cccc6ccccc56)c4nc31)C2(C)C
InChIInChI=1S/C46H38N4S/c1-45(2)36-28-29-46(45,3)42-39(36)47-40-41(48-42)44(50(33-22-8-5-9-23-33)38-27-15-19-31-17-11-13-25-35(31)38)51-43(40)49(32-20-6-4-7-21-32)37-26-14-18-30-16-10-12-24-34(30)37/h4-27,36H,28-29H2,1-3H3
InChIKeyUUXOVYCJLHJTSX-UHFFFAOYSA-N
MW678.91 g/mol
LogP13.11
Rot. Bonds6

About 1,14,14-trimethyl-5-N,7-N-dinaphthalen-1-yl-5-N,7-N-diphenyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene-5,7-diamine

1,14,14-trimethyl-5-N,7-N-dinaphthalen-1-yl-5-N,7-N-diphenyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene-5,7-diamine (PubChem CID 59793422) has the molecular formula C46H38N4S and a molecular weight of 678.91 g/mol. Its IUPAC name is 1,14,14-trimethyl-5-N,7-N-dinaphthalen-1-yl-5-N,7-N-diphenyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene-5,7-diamine.

Molecular Properties

Compound Name1,14,14-trimethyl-5-N,7-N-dinaphthalen-1-yl-5-N,7-N-diphenyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene-5,7-diamine
PubChem CID59793422
Molecular FormulaC46H38N4S
Molecular Weight678.91 g/mol
Exact Mass678.28
IUPAC Name1,14,14-trimethyl-5-N,7-N-dinaphthalen-1-yl-5-N,7-N-diphenyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene-5,7-diamine
SMILESCC12CCC(c3nc4c(N(c5ccccc5)c5cccc6ccccc56)sc(N(c5ccccc5)c5cccc6ccccc56)c4nc31)C2(C)C
InChIInChI=1S/C46H38N4S/c1-45(2)36-28-29-46(45,3)42-39(36)47-40-41(48-42)44(50(33-22-8-5-9-23-33)38-27-15-19-31-17-11-13-25-35(31)38)51-43(40)49(32-20-6-4-7-21-32)37-26-14-18-30-16-10-12-24-34(30)37/h4-27,36H,28-29H2,1-3H3
InChIKeyUUXOVYCJLHJTSX-UHFFFAOYSA-N
XLogP13.11
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.91
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,14,14-trimethyl-5-N,7-N-dinaphthalen-1-yl-5-N,7-N-diphenyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene-5,7-diamine with MolForge

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Related Compounds

4-methyl-N-phenyl-N-[4-(7,11,14,14-tetramethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl)phenyl]aniline
CID 59793450
N-[4-[7-[4-(dipyridin-2-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-pyridin-2-ylpyridin-2-amine
CID 59793435
N,N-diphenylnaphthalen-1-amine
CID 11392281
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N-ethyl-15,15-dimethyl-N-naphthalen-1-yl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834608
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521
1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine
CID 58895007
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467

Frequently Asked Questions

What is the IUPAC name of 1,14,14-trimethyl-5-N,7-N-dinaphthalen-1-yl-5-N,7-N-diphenyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene-5,7-diamine?
The IUPAC name of 1,14,14-trimethyl-5-N,7-N-dinaphthalen-1-yl-5-N,7-N-diphenyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene-5,7-diamine (CID 59793422) is 1,14,14-trimethyl-5-N,7-N-dinaphthalen-1-yl-5-N,7-N-diphenyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene-5,7-diamine.
What is the SMILES notation for 1,14,14-trimethyl-5-N,7-N-dinaphthalen-1-yl-5-N,7-N-diphenyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene-5,7-diamine?
The canonical SMILES for 1,14,14-trimethyl-5-N,7-N-dinaphthalen-1-yl-5-N,7-N-diphenyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene-5,7-diamine is CC12CCC(c3nc4c(N(c5ccccc5)c5cccc6ccccc56)sc(N(c5ccccc5)c5cccc6ccccc56)c4nc31)C2(C)C.
What is the InChIKey of 1,14,14-trimethyl-5-N,7-N-dinaphthalen-1-yl-5-N,7-N-diphenyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene-5,7-diamine?
The InChIKey is UUXOVYCJLHJTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N4S/c1-45(2)36-28-29-46(45,3)42-39(36)47-40-41(48-42)44(50(33-22-8-5-9-23-33)38-27-15-19-31-17-11-13-25-35(31)38)51-43(40)49(32-20-6-4-7-21-32)37-26-14-18-30-16-10-12-24-34(30)37/h4-27,36H,28-29H2,1-3H3.
What are the key properties of 1,14,14-trimethyl-5-N,7-N-dinaphthalen-1-yl-5-N,7-N-diphenyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene-5,7-diamine?
1,14,14-trimethyl-5-N,7-N-dinaphthalen-1-yl-5-N,7-N-diphenyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene-5,7-diamine has a molecular weight of 678.91 g/mol, XLogP of 13.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,14,14-trimethyl-5-N,7-N-dinaphthalen-1-yl-5-N,7-N-diphenyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraene-5,7-diamine is sourced from PubChem (CID 59793422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).