5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole

C48H38N6 — CID 146498073

IUPAC5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
SMILESC1=CC(n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)NC(C2=NC(c3ccc4c(c3)CCC=C4)NC(c3ccccc3)N2)=C1
InChIInChI=1S/C48H38N6/c1-3-15-32(16-4-1)46-50-47(34-27-26-31-14-7-8-17-33(31)28-34)52-48(51-46)40-22-13-25-45(49-40)54-42-24-12-10-21-37(42)39-29-38-36-20-9-11-23-41(36)53(43(38)30-44(39)54)35-18-5-2-6-19-35/h1-7,9-16,18-30,45-47,49-50H,8,17H2,(H,51,52)
InChIKeyFZQYZORTUFGQKX-UHFFFAOYSA-N
MW698.87 g/mol
LogP10.38
Rot. Bonds5

About 5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole

5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 146498073) has the molecular formula C48H38N6 and a molecular weight of 698.87 g/mol. Its IUPAC name is 5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
PubChem CID146498073
Molecular FormulaC48H38N6
Molecular Weight698.87 g/mol
Exact Mass698.32
IUPAC Name5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
SMILESC1=CC(n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)NC(C2=NC(c3ccc4c(c3)CCC=C4)NC(c3ccccc3)N2)=C1
InChIInChI=1S/C48H38N6/c1-3-15-32(16-4-1)46-50-47(34-27-26-31-14-7-8-17-33(31)28-34)52-48(51-46)40-22-13-25-45(49-40)54-42-24-12-10-21-37(42)39-29-38-36-20-9-11-23-41(36)53(43(38)30-44(39)54)35-18-5-2-6-19-35/h1-7,9-16,18-30,45-47,49-50H,8,17H2,(H,51,52)
InChIKeyFZQYZORTUFGQKX-UHFFFAOYSA-N
XLogP10.38
TPSA58.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 510.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 163596227
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378
11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 163563553
5-[5-(2-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 166750479
9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 145327034
3-(4,11-dihydro-3H-benzo[b]fluoren-11-yl)-5-[3-(6-phenanthren-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole
CID 163865055
7-phenyl-5-[6-[4-phenyl-6-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2,3,4-tetrahydropyridin-2-yl]indolo[2,3-b]carbazole
CID 146359290
15-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-18-phenyl-5-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 126677996
12-phenyl-16-[3-(4-phenyl-1,2,5,6-tetrahydroquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134604207

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole (CID 146498073) is 5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole is C1=CC(n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)NC(C2=NC(c3ccc4c(c3)CCC=C4)NC(c3ccccc3)N2)=C1.
What is the InChIKey of 5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is FZQYZORTUFGQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N6/c1-3-15-32(16-4-1)46-50-47(34-27-26-31-14-7-8-17-33(31)28-34)52-48(51-46)40-22-13-25-45(49-40)54-42-24-12-10-21-37(42)39-29-38-36-20-9-11-23-41(36)53(43(38)30-44(39)54)35-18-5-2-6-19-35/h1-7,9-16,18-30,45-47,49-50H,8,17H2,(H,51,52).
What are the key properties of 5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole?
5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 698.87 g/mol, XLogP of 10.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 146498073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).