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

C51H31N5O — CID 163961346

IUPAC9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccc5oc6c(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccccc98)n7)cccc6c5c4)c3c2)cc1
InChIInChI=1S/C51H31N5O/c1-3-14-32(15-4-1)34-26-28-39-38-20-7-10-23-43(38)55(46(39)30-34)35-27-29-47-42(31-35)40-21-13-22-41(48(40)57-47)50-52-49(33-16-5-2-6-17-33)53-51(54-50)56-44-24-11-8-18-36(44)37-19-9-12-25-45(37)56/h1-31H
InChIKeySHSPGWZWEMSQJX-UHFFFAOYSA-N
MW729.84 g/mol
LogP12.97
Rot. Bonds5

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

9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole (PubChem CID 163961346) has the molecular formula C51H31N5O and a molecular weight of 729.84 g/mol. Its IUPAC name is 9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
PubChem CID163961346
Molecular FormulaC51H31N5O
Molecular Weight729.84 g/mol
Exact Mass729.25
IUPAC Name9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccc5oc6c(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccccc98)n7)cccc6c5c4)c3c2)cc1
InChIInChI=1S/C51H31N5O/c1-3-14-32(15-4-1)34-26-28-39-38-20-7-10-23-43(38)55(46(39)30-34)35-27-29-47-42(31-35)40-21-13-22-41(48(40)57-47)50-52-49(33-16-5-2-6-17-33)53-51(54-50)56-44-24-11-8-18-36(44)37-19-9-12-25-45(37)56/h1-31H
InChIKeySHSPGWZWEMSQJX-UHFFFAOYSA-N
XLogP12.97
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
CID 168769949
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
CID 142377722
9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole;9-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 160965442
9-(6-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080693
9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole
CID 170369945
9-[8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]carbazole
CID 169011410
9-[4-phenyl-6-[4-[3-(6-phenyldibenzofuran-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155445919
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534356
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 146620661
9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080240
9-[4-(6-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164978383
2-dibenzofuran-4-yl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-4-yl-9-[3-phenyl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165001120

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole?
The IUPAC name of 9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole (CID 163961346) is 9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole.
What is the SMILES notation for 9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole?
The canonical SMILES for 9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4ccc5oc6c(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccccc98)n7)cccc6c5c4)c3c2)cc1.
What is the InChIKey of 9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole?
The InChIKey is SHSPGWZWEMSQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O/c1-3-14-32(15-4-1)34-26-28-39-38-20-7-10-23-43(38)55(46(39)30-34)35-27-29-47-42(31-35)40-21-13-22-41(48(40)57-47)50-52-49(33-16-5-2-6-17-33)53-51(54-50)56-44-24-11-8-18-36(44)37-19-9-12-25-45(37)56/h1-31H.
What are the key properties of 9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole?
9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole has a molecular weight of 729.84 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole is sourced from PubChem (CID 163961346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).