9-[3-[(4,6-diphenyl-1,3,5-triazin-2-yl)oxy]phenyl]-3,6-diphenylcarbazole

C45H30N4O — CID 155388040

IUPAC9-[3-[(4,6-diphenyl-1,3,5-triazin-2-yl)oxy]phenyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(Oc3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C45H30N4O/c1-5-14-31(15-6-1)35-24-26-41-39(28-35)40-29-36(32-16-7-2-8-17-32)25-27-42(40)49(41)37-22-13-23-38(30-37)50-45-47-43(33-18-9-3-10-19-33)46-44(48-45)34-20-11-4-12-21-34/h1-30H
InChIKeyDHCKIBCTDQDZGB-UHFFFAOYSA-N
MW642.76 g/mol
LogP11.43
Rot. Bonds7

About 9-[3-[(4,6-diphenyl-1,3,5-triazin-2-yl)oxy]phenyl]-3,6-diphenylcarbazole

9-[3-[(4,6-diphenyl-1,3,5-triazin-2-yl)oxy]phenyl]-3,6-diphenylcarbazole (PubChem CID 155388040) has the molecular formula C45H30N4O and a molecular weight of 642.76 g/mol. Its IUPAC name is 9-[3-[(4,6-diphenyl-1,3,5-triazin-2-yl)oxy]phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[3-[(4,6-diphenyl-1,3,5-triazin-2-yl)oxy]phenyl]-3,6-diphenylcarbazole
PubChem CID155388040
Molecular FormulaC45H30N4O
Molecular Weight642.76 g/mol
Exact Mass642.24
IUPAC Name9-[3-[(4,6-diphenyl-1,3,5-triazin-2-yl)oxy]phenyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(Oc3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C45H30N4O/c1-5-14-31(15-6-1)35-24-26-41-39(28-35)40-29-36(32-16-7-2-8-17-32)25-27-42(40)49(41)37-22-13-23-38(30-37)50-45-47-43(33-18-9-3-10-19-33)46-44(48-45)34-20-11-4-12-21-34/h1-30H
InChIKeyDHCKIBCTDQDZGB-UHFFFAOYSA-N
XLogP11.43
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[3-[(4,6-diphenyl-1,3,5-triazin-2-yl)oxy]phenyl]-3,6-diphenylcarbazole 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

9-Ethyl-3-(1-(4-methoxyphenyl)-4,5-bis(4-(4-methylpiperazin-1-yl)phenyl)-1H-imidazol-2-yl)-9H-carbazole
CID 137628645
N4-(3-methoxyphenyl)-9H-pyrimido[4,5-b]indole-2,4-diamine
CID 25233118
N4-(3-methoxyphenyl)-N4-methyl-9H-pyrimido[4,5-b]indole-2,4-diamine
CID 25233119
3-(4-Chloro-6-phenoxy-1,3,5-triazin-2-yl)-1-phenylindole
CID 285449
4-(4-Methoxyphenyl)-6-(9-methyl-9H-carbazol-3-yl)-pyrimidin-2-amine (5b)
CID 78210049
6-[4-(4-Indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl]indolo[1,2-c]quinazoline
CID 45276791
6-[4-(4-Methylphenoxy)phenyl]indolo[1,2-c]quinazoline
CID 71594670
6-(4-Methoxyphenyl)indolo[1,2-c]quinazoline
CID 102452205
10,14-Bis(4-methoxyphenyl)-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 132569874
9,9'-(6-(4-Iodophenoxy)-1,3,5-triazine-2,4-diyl)bis(9h-carbazole)
CID 58609367
9,9'-(6-Iodophenoxy-1,3,5-triazine-2,4-diyl)bis(9h-carbazole)
CID 58609368
9,9'-(6-(4-Bromophenoxy)-1,3,5-triazine-2,4-diyl)bis(9h-carbazole)
CID 58609370

Frequently Asked Questions

What is the IUPAC name of 9-[3-[(4,6-diphenyl-1,3,5-triazin-2-yl)oxy]phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[3-[(4,6-diphenyl-1,3,5-triazin-2-yl)oxy]phenyl]-3,6-diphenylcarbazole (CID 155388040) is 9-[3-[(4,6-diphenyl-1,3,5-triazin-2-yl)oxy]phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[3-[(4,6-diphenyl-1,3,5-triazin-2-yl)oxy]phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[3-[(4,6-diphenyl-1,3,5-triazin-2-yl)oxy]phenyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(Oc3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 9-[3-[(4,6-diphenyl-1,3,5-triazin-2-yl)oxy]phenyl]-3,6-diphenylcarbazole?
The InChIKey is DHCKIBCTDQDZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O/c1-5-14-31(15-6-1)35-24-26-41-39(28-35)40-29-36(32-16-7-2-8-17-32)25-27-42(40)49(41)37-22-13-23-38(30-37)50-45-47-43(33-18-9-3-10-19-33)46-44(48-45)34-20-11-4-12-21-34/h1-30H.
What are the key properties of 9-[3-[(4,6-diphenyl-1,3,5-triazin-2-yl)oxy]phenyl]-3,6-diphenylcarbazole?
9-[3-[(4,6-diphenyl-1,3,5-triazin-2-yl)oxy]phenyl]-3,6-diphenylcarbazole has a molecular weight of 642.76 g/mol, XLogP of 11.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[(4,6-diphenyl-1,3,5-triazin-2-yl)oxy]phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 155388040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).