N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine

C57H37N5O — CID 155410982

IUPACN-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c5ccc(-c6ccccc6)cc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)cc2)cc1
InChIInChI=1S/C57H37N5O/c1-5-15-38(16-6-1)40-25-28-44(29-26-40)61(46-31-34-50-49-23-13-14-24-53(49)63-54(50)37-46)45-30-33-48-47-32-27-43(39-17-7-2-8-18-39)35-51(47)62(52(48)36-45)57-59-55(41-19-9-3-10-20-41)58-56(60-57)42-21-11-4-12-22-42/h1-37H
InChIKeyVCIRBQOJYZLPAV-UHFFFAOYSA-N
MW807.96 g/mol
LogP15.01
Rot. Bonds8

About N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine

N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 155410982) has the molecular formula C57H37N5O and a molecular weight of 807.96 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID155410982
Molecular FormulaC57H37N5O
Molecular Weight807.96 g/mol
Exact Mass807.30
IUPAC NameN-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c5ccc(-c6ccccc6)cc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)cc2)cc1
InChIInChI=1S/C57H37N5O/c1-5-15-38(16-6-1)40-25-28-44(29-26-40)61(46-31-34-50-49-23-13-14-24-53(49)63-54(50)37-46)45-30-33-48-47-32-27-43(39-17-7-2-8-18-39)35-51(47)62(52(48)36-45)57-59-55(41-19-9-3-10-20-41)58-56(60-57)42-21-11-4-12-22-42/h1-37H
InChIKeyVCIRBQOJYZLPAV-UHFFFAOYSA-N
XLogP15.01
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.96
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 155409935
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N,7-bis(4-phenylphenyl)carbazol-2-amine
CID 155409977
7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170095890
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 164807780
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3,5-diphenylphenyl)carbazole
CID 135144062
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095491
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-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 166917707
9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164821915
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine (CID 155410982) is N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c5ccc(-c6ccccc6)cc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is VCIRBQOJYZLPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5O/c1-5-15-38(16-6-1)40-25-28-44(29-26-40)61(46-31-34-50-49-23-13-14-24-53(49)63-54(50)37-46)45-30-33-48-47-32-27-43(39-17-7-2-8-18-39)35-51(47)62(52(48)36-45)57-59-55(41-19-9-3-10-20-41)58-56(60-57)42-21-11-4-12-22-42/h1-37H.
What are the key properties of N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 807.96 g/mol, XLogP of 15.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 155410982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).