N-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine

C55H38N4OS — CID 156553965

IUPACN-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(C2N=C(c3cc(-c4ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc4)cc4c3oc3c5ccccc5ccc43)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C55H38N4OS/c1-4-15-37(16-5-1)53-56-54(38-17-6-2-7-18-38)58-55(57-53)48-33-39(32-47-45-30-26-36-14-10-11-21-43(36)51(45)60-52(47)48)35-24-27-41(28-25-35)59(40-19-8-3-9-20-40)42-29-31-50-46(34-42)44-22-12-13-23-49(44)61-50/h1-34,53-54,56H,(H,57,58)
InChIKeyRUKIHQWKRDZEMW-UHFFFAOYSA-N
MW803.00 g/mol
LogP14.58
Rot. Bonds7

About N-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine

N-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine (PubChem CID 156553965) has the molecular formula C55H38N4OS and a molecular weight of 803.00 g/mol. Its IUPAC name is N-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine
PubChem CID156553965
Molecular FormulaC55H38N4OS
Molecular Weight803.00 g/mol
Exact Mass802.28
IUPAC NameN-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(C2N=C(c3cc(-c4ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc4)cc4c3oc3c5ccccc5ccc43)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C55H38N4OS/c1-4-15-37(16-5-1)53-56-54(38-17-6-2-7-18-38)58-55(57-53)48-33-39(32-47-45-30-26-36-14-10-11-21-43(36)51(45)60-52(47)48)35-24-27-41(28-25-35)59(40-19-8-3-9-20-40)42-29-31-50-46(34-42)44-22-12-13-23-49(44)61-50/h1-34,53-54,56H,(H,57,58)
InChIKeyRUKIHQWKRDZEMW-UHFFFAOYSA-N
XLogP14.58
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.00
LogP ≤ 514.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine with MolForge

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Related Compounds

3-[10-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]-N,N-diphenylaniline
CID 156553919
N-(4-dibenzothiophen-2-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)aniline
CID 167331407
2-dibenzofuran-4-yl-6-(7-dibenzofuran-4-yldibenzothiophen-2-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 149480097
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168804904
N-(3-naphtho[1,2-b][1]benzofuran-10-yl-5-phenylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 118616350
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 167182893
N-[3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 177100484
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 162702037
N-[4-(2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 170424579
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 167329645
N,8-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675105
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738155

Frequently Asked Questions

What is the IUPAC name of N-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine?
The IUPAC name of N-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine (CID 156553965) is N-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for N-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for N-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine is c1ccc(C2N=C(c3cc(-c4ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc4)cc4c3oc3c5ccccc5ccc43)NC(c3ccccc3)N2)cc1.
What is the InChIKey of N-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine?
The InChIKey is RUKIHQWKRDZEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N4OS/c1-4-15-37(16-5-1)53-56-54(38-17-6-2-7-18-38)58-55(57-53)48-33-39(32-47-45-30-26-36-14-10-11-21-43(36)51(45)60-52(47)48)35-24-27-41(28-25-35)59(40-19-8-3-9-20-40)42-29-31-50-46(34-42)44-22-12-13-23-49(44)61-50/h1-34,53-54,56H,(H,57,58).
What are the key properties of N-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine?
N-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine has a molecular weight of 803.00 g/mol, XLogP of 14.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 156553965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).