9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole

C49H30N4O — CID 170106843

IUPAC9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc4oc5cccc(-c6cccc7ccccc67)c5c34)nc(-n3c4ccccc4c4c(-c5ccccc5)cccc43)n2)cc1
InChIInChI=1S/C49H30N4O/c1-3-15-32(16-4-1)35-23-12-28-41-44(35)38-22-9-10-27-40(38)53(41)49-51-47(33-18-5-2-6-19-33)50-48(52-49)39-26-14-30-43-46(39)45-37(25-13-29-42(45)54-43)36-24-11-20-31-17-7-8-21-34(31)36/h1-30H
InChIKeyCEFCNMBRAFFJAU-UHFFFAOYSA-N
MW690.81 g/mol
LogP12.69
Rot. Bonds5

About 9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole

9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole (PubChem CID 170106843) has the molecular formula C49H30N4O and a molecular weight of 690.81 g/mol. Its IUPAC name is 9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole.

Molecular Properties

Compound Name9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
PubChem CID170106843
Molecular FormulaC49H30N4O
Molecular Weight690.81 g/mol
Exact Mass690.24
IUPAC Name9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc4oc5cccc(-c6cccc7ccccc67)c5c34)nc(-n3c4ccccc4c4c(-c5ccccc5)cccc43)n2)cc1
InChIInChI=1S/C49H30N4O/c1-3-15-32(16-4-1)35-23-12-28-41-44(35)38-22-9-10-27-40(38)53(41)49-51-47(33-18-5-2-6-19-33)50-48(52-49)39-26-14-30-43-46(39)45-37(25-13-29-42(45)54-43)36-24-11-20-31-17-7-8-21-34(31)36/h1-30H
InChIKeyCEFCNMBRAFFJAU-UHFFFAOYSA-N
XLogP12.69
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.81
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176837396
9-[4-(9-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952374
2-(9-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742190
9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093
9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-4-yl]carbazole
CID 176871191
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915499
9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166961356
4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 170366972
9-[4-(9-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358250
4-dibenzofuran-4-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491359
1-dibenzofuran-1-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 163882752

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole?
The IUPAC name of 9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole (CID 170106843) is 9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole.
What is the SMILES notation for 9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole?
The canonical SMILES for 9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole is c1ccc(-c2nc(-c3cccc4oc5cccc(-c6cccc7ccccc67)c5c34)nc(-n3c4ccccc4c4c(-c5ccccc5)cccc43)n2)cc1.
What is the InChIKey of 9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole?
The InChIKey is CEFCNMBRAFFJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O/c1-3-15-32(16-4-1)35-23-12-28-41-44(35)38-22-9-10-27-40(38)53(41)49-51-47(33-18-5-2-6-19-33)50-48(52-49)39-26-14-30-43-46(39)45-37(25-13-29-42(45)54-43)36-24-11-20-31-17-7-8-21-34(31)36/h1-30H.
What are the key properties of 9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole?
9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole has a molecular weight of 690.81 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole is sourced from PubChem (CID 170106843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).