2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole

C46H31N5O — CID 118228554

IUPAC2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6c7c(ccc65)NC(c5ccccc5)O7)cc4)n3)cc2)cc1
InChIInChI=1S/C46H31N5O/c1-4-12-30(13-5-1)31-20-22-33(23-21-31)44-48-43(32-14-6-2-7-15-32)49-45(50-44)34-24-26-36(27-25-34)51-39-19-11-10-18-37(39)41-40(51)29-28-38-42(41)52-46(47-38)35-16-8-3-9-17-35/h1-29,46-47H
InChIKeyNGIZWDAHXOFZMU-UHFFFAOYSA-N
MW669.79 g/mol
LogP11.14
Rot. Bonds6

About 2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole

2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole (PubChem CID 118228554) has the molecular formula C46H31N5O and a molecular weight of 669.79 g/mol. Its IUPAC name is 2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole.

Molecular Properties

Compound Name2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole
PubChem CID118228554
Molecular FormulaC46H31N5O
Molecular Weight669.79 g/mol
Exact Mass669.25
IUPAC Name2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6c7c(ccc65)NC(c5ccccc5)O7)cc4)n3)cc2)cc1
InChIInChI=1S/C46H31N5O/c1-4-12-30(13-5-1)31-20-22-33(23-21-31)44-48-43(32-14-6-2-7-15-32)49-45(50-44)34-24-26-36(27-25-34)51-39-19-11-10-18-37(39)41-40(51)29-28-38-42(41)52-46(47-38)35-16-8-3-9-17-35/h1-29,46-47H
InChIKeyNGIZWDAHXOFZMU-UHFFFAOYSA-N
XLogP11.14
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.79
LogP ≤ 511.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]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

6-(3,5-dipyridin-4-ylphenyl)-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole
CID 134390771
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937273
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 139481059
2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 126614495
9,18,27-tris[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227811
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139496806
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227760
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,9-diphenylindolo[3,2-c]carbazole
CID 126628139
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157300404

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole?
The IUPAC name of 2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole (CID 118228554) is 2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole.
What is the SMILES notation for 2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole?
The canonical SMILES for 2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6c7c(ccc65)NC(c5ccccc5)O7)cc4)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole?
The InChIKey is NGIZWDAHXOFZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N5O/c1-4-12-30(13-5-1)31-20-22-33(23-21-31)44-48-43(32-14-6-2-7-15-32)49-45(50-44)34-24-26-36(27-25-34)51-39-19-11-10-18-37(39)41-40(51)29-28-38-42(41)52-46(47-38)35-16-8-3-9-17-35/h1-29,46-47H.
What are the key properties of 2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole?
2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole has a molecular weight of 669.79 g/mol, XLogP of 11.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole is sourced from PubChem (CID 118228554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).