9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole

C51H33N5O — CID 166961563

IUPAC9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole
SMILESc1ccc(-c2cccc3c2c2ccccc2n3-c2cccc3c2oc2ccc(C4=NC(n5c6ccccc6c6ccccc65)=NC(c5ccccc5)N4)cc23)cc1
InChIInChI=1S/C51H33N5O/c1-3-15-32(16-4-1)35-22-13-27-44-47(35)39-21-9-12-26-43(39)55(44)45-28-14-23-38-40-31-34(29-30-46(40)57-48(38)45)50-52-49(33-17-5-2-6-18-33)53-51(54-50)56-41-24-10-7-19-36(41)37-20-8-11-25-42(37)56/h1-31,49H,(H,52,53,54)
InChIKeyKHVDKJFKEIBCKC-UHFFFAOYSA-N
MW731.86 g/mol
LogP12.41
Rot. Bonds4

About 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole

9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole (PubChem CID 166961563) has the molecular formula C51H33N5O and a molecular weight of 731.86 g/mol. Its IUPAC name is 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole.

Molecular Properties

Compound Name9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole
PubChem CID166961563
Molecular FormulaC51H33N5O
Molecular Weight731.86 g/mol
Exact Mass731.27
IUPAC Name9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole
SMILESc1ccc(-c2cccc3c2c2ccccc2n3-c2cccc3c2oc2ccc(C4=NC(n5c6ccccc6c6ccccc65)=NC(c5ccccc5)N4)cc23)cc1
InChIInChI=1S/C51H33N5O/c1-3-15-32(16-4-1)35-22-13-27-44-47(35)39-21-9-12-26-43(39)55(44)45-28-14-23-38-40-31-34(29-30-46(40)57-48(38)45)50-52-49(33-17-5-2-6-18-33)53-51(54-50)56-41-24-10-7-19-36(41)37-20-8-11-25-42(37)56/h1-31,49H,(H,52,53,54)
InChIKeyKHVDKJFKEIBCKC-UHFFFAOYSA-N
XLogP12.41
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 512.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole
CID 166961274
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 163775017
9-[9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 163754260
9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 166961266
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
9-[16-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaen-8-yl]carbazole
CID 146664755
3-[8-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 155077354
9-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146395780
9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-14-(2,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167154552
9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole
CID 166961329
9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278
5-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 166668347

Frequently Asked Questions

What is the IUPAC name of 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole?
The IUPAC name of 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole (CID 166961563) is 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole.
What is the SMILES notation for 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole?
The canonical SMILES for 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole is c1ccc(-c2cccc3c2c2ccccc2n3-c2cccc3c2oc2ccc(C4=NC(n5c6ccccc6c6ccccc65)=NC(c5ccccc5)N4)cc23)cc1.
What is the InChIKey of 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole?
The InChIKey is KHVDKJFKEIBCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5O/c1-3-15-32(16-4-1)35-22-13-27-44-47(35)39-21-9-12-26-43(39)55(44)45-28-14-23-38-40-31-34(29-30-46(40)57-48(38)45)50-52-49(33-17-5-2-6-18-33)53-51(54-50)56-41-24-10-7-19-36(41)37-20-8-11-25-42(37)56/h1-31,49H,(H,52,53,54).
What are the key properties of 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole?
9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole has a molecular weight of 731.86 g/mol, XLogP of 12.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole is sourced from PubChem (CID 166961563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).