4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole

C51H34N4O — CID 166988314

IUPAC4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole
SMILESC1=CC2Oc3cc(-n4c5ccccc5c5c(-c6ccccc6)cccc54)ccc3C2C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)=C1
InChIInChI=1S/C51H34N4O/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)50-52-49(36-18-8-3-9-19-36)53-51(54-50)42-22-13-25-45-48(42)41-31-30-38(32-46(41)56-45)55-43-23-11-10-20-40(43)47-39(21-12-24-44(47)55)35-16-6-2-7-17-35/h1-32,45,48H
InChIKeyXOJWRVFBTPVBDI-UHFFFAOYSA-N
MW718.86 g/mol
LogP12.13
Rot. Bonds6

About 4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole

4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole (PubChem CID 166988314) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole
PubChem CID166988314
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole
SMILESC1=CC2Oc3cc(-n4c5ccccc5c5c(-c6ccccc6)cccc54)ccc3C2C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)=C1
InChIInChI=1S/C51H34N4O/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)50-52-49(36-18-8-3-9-19-36)53-51(54-50)42-22-13-25-45-48(42)41-31-30-38(32-46(41)56-45)55-43-23-11-10-20-40(43)47-39(21-12-24-44(47)55)35-16-6-2-7-17-35/h1-32,45,48H
InChIKeyXOJWRVFBTPVBDI-UHFFFAOYSA-N
XLogP12.13
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 167184052
4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 160871138
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 176837765
9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165151261
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706
4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146337627
9-[4-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166984413
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 121306271
9-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 161068654
2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170424177
9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole
CID 157305753

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole?
The IUPAC name of 4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole (CID 166988314) is 4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole.
What is the SMILES notation for 4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole?
The canonical SMILES for 4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole is C1=CC2Oc3cc(-n4c5ccccc5c5c(-c6ccccc6)cccc54)ccc3C2C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)=C1.
What is the InChIKey of 4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole?
The InChIKey is XOJWRVFBTPVBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)50-52-49(36-18-8-3-9-19-36)53-51(54-50)42-22-13-25-45-48(42)41-31-30-38(32-46(41)56-45)55-43-23-11-10-20-40(43)47-39(21-12-24-44(47)55)35-16-6-2-7-17-35/h1-32,45,48H.
What are the key properties of 4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole?
4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole has a molecular weight of 718.86 g/mol, XLogP of 12.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole is sourced from PubChem (CID 166988314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).