5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole

C59H35N5O — CID 163654764

IUPAC5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc3c(cc2-n2c4ccccc4c4cc5ccccc5cc42)oc2cccc(-c4nc(-c5ccc6ccccc6c5)nc(-n5c6ccccc6c6ccccc65)n4)c23)cc1
InChIInChI=1S/C59H35N5O/c1-2-16-37(17-3-1)46-34-48-55(35-53(46)63-49-25-11-10-23-44(49)47-32-39-19-6-7-20-40(39)33-52(47)63)65-54-28-14-24-45(56(48)54)58-60-57(41-30-29-36-15-4-5-18-38(36)31-41)61-59(62-58)64-50-26-12-8-21-42(50)43-22-9-13-27-51(43)64/h1-35H
InChIKeyIPFWXTODSFVEKF-UHFFFAOYSA-N
MW829.96 g/mol
LogP15.27
Rot. Bonds5

About 5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole

5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 163654764) has the molecular formula C59H35N5O and a molecular weight of 829.96 g/mol. Its IUPAC name is 5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole
PubChem CID163654764
Molecular FormulaC59H35N5O
Molecular Weight829.96 g/mol
Exact Mass829.28
IUPAC Name5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc3c(cc2-n2c4ccccc4c4cc5ccccc5cc42)oc2cccc(-c4nc(-c5ccc6ccccc6c5)nc(-n5c6ccccc6c6ccccc65)n4)c23)cc1
InChIInChI=1S/C59H35N5O/c1-2-16-37(17-3-1)46-34-48-55(35-53(46)63-49-25-11-10-23-44(49)47-32-39-19-6-7-20-40(39)33-52(47)63)65-54-28-14-24-45(56(48)54)58-60-57(41-30-29-36-15-4-5-18-38(36)31-41)61-59(62-58)64-50-26-12-8-21-42(50)43-22-9-13-27-51(43)64/h1-35H
InChIKeyIPFWXTODSFVEKF-UHFFFAOYSA-N
XLogP15.27
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.96
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole
CID 163412868
5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 167031917
5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
CID 167043514
5-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163768078
5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155474903
5-[3-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347352
5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 155043111
5-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166700691
12-[3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-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 163792015
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699493
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
12-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-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 166700694

Frequently Asked Questions

What is the IUPAC name of 5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole?
The IUPAC name of 5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole (CID 163654764) is 5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole is c1ccc(-c2cc3c(cc2-n2c4ccccc4c4cc5ccccc5cc42)oc2cccc(-c4nc(-c5ccc6ccccc6c5)nc(-n5c6ccccc6c6ccccc65)n4)c23)cc1.
What is the InChIKey of 5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole?
The InChIKey is IPFWXTODSFVEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N5O/c1-2-16-37(17-3-1)46-34-48-55(35-53(46)63-49-25-11-10-23-44(49)47-32-39-19-6-7-20-40(39)33-52(47)63)65-54-28-14-24-45(56(48)54)58-60-57(41-30-29-36-15-4-5-18-38(36)31-41)61-59(62-58)64-50-26-12-8-21-42(50)43-22-9-13-27-51(43)64/h1-35H.
What are the key properties of 5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole?
5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole has a molecular weight of 829.96 g/mol, XLogP of 15.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 163654764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).