1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole

C51H33N5O — CID 71134747

IUPAC1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESC1=CC2Oc3ccc(-c4nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)n4)cc3C2C=C1
InChIInChI=1S/C51H33N5O/c1-3-15-33(16-4-1)55-43-26-10-7-19-35(43)38-22-13-24-40(47(38)55)50-52-49(32-29-30-46-42(31-32)37-21-9-12-28-45(37)57-46)53-51(54-50)41-25-14-23-39-36-20-8-11-27-44(36)56(48(39)41)34-17-5-2-6-18-34/h1-31,37,45H
InChIKeyAVQHMWYYTYWRHC-UHFFFAOYSA-N
MW731.86 g/mol
LogP12.04
Rot. Bonds5

About 1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole

1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 71134747) has the molecular formula C51H33N5O and a molecular weight of 731.86 g/mol. Its IUPAC name is 1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
PubChem CID71134747
Molecular FormulaC51H33N5O
Molecular Weight731.86 g/mol
Exact Mass731.27
IUPAC Name1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESC1=CC2Oc3ccc(-c4nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)n4)cc3C2C=C1
InChIInChI=1S/C51H33N5O/c1-3-15-33(16-4-1)55-43-26-10-7-19-35(43)38-22-13-24-40(47(38)55)50-52-49(32-29-30-46-42(31-32)37-21-9-12-28-45(37)57-46)53-51(54-50)41-25-14-23-39-36-20-8-11-27-44(36)56(48(39)41)34-17-5-2-6-18-34/h1-31,37,45H
InChIKeyAVQHMWYYTYWRHC-UHFFFAOYSA-N
XLogP12.04
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 170113354
9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole
CID 135143609
9-phenyl-1-[4-(9-phenylcarbazol-2-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169280035
5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163607189
9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163833771
11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 166512002
1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 139342063
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;5-phenyl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163546959
5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163922728
8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran
CID 164841424
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621065
9-phenyl-1-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 162699405

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The IUPAC name of 1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 71134747) is 1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is C1=CC2Oc3ccc(-c4nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)n4)cc3C2C=C1.
What is the InChIKey of 1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The InChIKey is AVQHMWYYTYWRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5O/c1-3-15-33(16-4-1)55-43-26-10-7-19-35(43)38-22-13-24-40(47(38)55)50-52-49(32-29-30-46-42(31-32)37-21-9-12-28-45(37)57-46)53-51(54-50)41-25-14-23-39-36-20-8-11-27-44(36)56(48(39)41)34-17-5-2-6-18-34/h1-31,37,45H.
What are the key properties of 1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 731.86 g/mol, XLogP of 12.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 71134747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).