9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole

C69H47N5O — CID 174270418

IUPAC9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole
SMILESC1=CC2c3c(-c4cccc5c4c4ccc(-c6ccccc6)cc4n5-c4cc(-c5ccccc5)ccc4C4=NC(c5ccc6c(c5)oc5ccccc56)=NC(c5ccccc5)N4)cccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C69H47N5O/c1-5-19-44(20-6-1)47-35-39-56-61(41-47)74(60-33-18-30-54(66(56)60)53-29-17-32-59-65(53)55-28-13-15-31-58(55)73(59)50-25-11-4-12-26-50)62-42-48(45-21-7-2-8-22-45)36-40-57(62)69-71-67(46-23-9-3-10-24-46)70-68(72-69)49-37-38-52-51-27-14-16-34-63(51)75-64(52)43-49/h1-43,55,58,67H,(H,70,71,72)
InChIKeyIZHAFRSETXQZLT-UHFFFAOYSA-N
MW962.17 g/mol
LogP16.91
Rot. Bonds8

About 9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole

9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole (PubChem CID 174270418) has the molecular formula C69H47N5O and a molecular weight of 962.17 g/mol. Its IUPAC name is 9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole.

Molecular Properties

Compound Name9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole
PubChem CID174270418
Molecular FormulaC69H47N5O
Molecular Weight962.17 g/mol
Exact Mass961.38
IUPAC Name9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole
SMILESC1=CC2c3c(-c4cccc5c4c4ccc(-c6ccccc6)cc4n5-c4cc(-c5ccccc5)ccc4C4=NC(c5ccc6c(c5)oc5ccccc56)=NC(c5ccccc5)N4)cccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C69H47N5O/c1-5-19-44(20-6-1)47-35-39-56-61(41-47)74(60-33-18-30-54(66(56)60)53-29-17-32-59-65(53)55-28-13-15-31-58(55)73(59)50-25-11-4-12-26-50)62-42-48(45-21-7-2-8-22-45)36-40-57(62)69-71-67(46-23-9-3-10-24-46)70-68(72-69)49-37-38-52-51-27-14-16-34-63(51)75-64(52)43-49/h1-43,55,58,67H,(H,70,71,72)
InChIKeyIZHAFRSETXQZLT-UHFFFAOYSA-N
XLogP16.91
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.17
LogP ≤ 516.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole with MolForge

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Related Compounds

3-[4-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 166914794
9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole
CID 174270597
5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 139342404
9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole
CID 166961329
9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 167200274
3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 138513984
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
5-[3-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155002339
9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278
12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166700730
11-[3-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 144956755
9-[17-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]-2-phenylcarbazole
CID 146665085

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole?
The IUPAC name of 9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole (CID 174270418) is 9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole.
What is the SMILES notation for 9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole?
The canonical SMILES for 9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole is C1=CC2c3c(-c4cccc5c4c4ccc(-c6ccccc6)cc4n5-c4cc(-c5ccccc5)ccc4C4=NC(c5ccc6c(c5)oc5ccccc56)=NC(c5ccccc5)N4)cccc3N(c3ccccc3)C2C=C1.
What is the InChIKey of 9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole?
The InChIKey is IZHAFRSETXQZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N5O/c1-5-19-44(20-6-1)47-35-39-56-61(41-47)74(60-33-18-30-54(66(56)60)53-29-17-32-59-65(53)55-28-13-15-31-58(55)73(59)50-25-11-4-12-26-50)62-42-48(45-21-7-2-8-22-45)36-40-57(62)69-71-67(46-23-9-3-10-24-46)70-68(72-69)49-37-38-52-51-27-14-16-34-63(51)75-64(52)43-49/h1-43,55,58,67H,(H,70,71,72).
What are the key properties of 9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole?
9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole has a molecular weight of 962.17 g/mol, XLogP of 16.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole is sourced from PubChem (CID 174270418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).