2-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene

C51H34N3O- — CID 142343054

IUPAC2-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene
SMILESc1ccc(C2=NC(c3ccc4oc5c(-c6ccc(-c7ccccc7)cc6)cc(-c6ccc(-c7ccccc7)cc6)cc5c4c3)=NC(c3ccccc3)[N-]2)cc1
InChIInChI=1S/C51H34N3O/c1-5-13-34(14-6-1)36-21-23-38(24-22-36)43-32-44(39-27-25-37(26-28-39)35-15-7-2-8-16-35)48-46(33-43)45-31-42(29-30-47(45)55-48)51-53-49(40-17-9-3-10-18-40)52-50(54-51)41-19-11-4-12-20-41/h1-33,49H/q-1
InChIKeySFRNRNZCLWDCCM-UHFFFAOYSA-N
MW704.85 g/mol
LogP13.53
Rot. Bonds7

About 2-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene

2-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene (PubChem CID 142343054) has the molecular formula C51H34N3O- and a molecular weight of 704.85 g/mol. Its IUPAC name is 2-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene.

Molecular Properties

Compound Name2-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene
PubChem CID142343054
Molecular FormulaC51H34N3O-
Molecular Weight704.85 g/mol
Exact Mass704.27
IUPAC Name2-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene
SMILESc1ccc(C2=NC(c3ccc4oc5c(-c6ccc(-c7ccccc7)cc6)cc(-c6ccc(-c7ccccc7)cc6)cc5c4c3)=NC(c3ccccc3)[N-]2)cc1
InChIInChI=1S/C51H34N3O/c1-5-13-34(14-6-1)36-21-23-38(24-22-36)43-32-44(39-27-25-37(26-28-39)35-15-7-2-8-16-35)48-46(33-43)45-31-42(29-30-47(45)55-48)51-53-49(40-17-9-3-10-18-40)52-50(54-51)41-19-11-4-12-20-41/h1-33,49H/q-1
InChIKeySFRNRNZCLWDCCM-UHFFFAOYSA-N
XLogP13.53
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.85
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene
CID 163727912
2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene
CID 163683464
2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332183
2-chrysen-3-yl-4-dibenzofuran-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-diene
CID 163721047
6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89417071
4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline
CID 130208140
4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline
CID 164934450
2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine
CID 89369665
3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]dibenzofuran-4-yl]carbazole
CID 163944864
2-[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]pyridine
CID 153423338
9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole
CID 144680715
2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496815

Frequently Asked Questions

What is the IUPAC name of 2-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene?
The IUPAC name of 2-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene (CID 142343054) is 2-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene.
What is the SMILES notation for 2-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene?
The canonical SMILES for 2-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene is c1ccc(C2=NC(c3ccc4oc5c(-c6ccc(-c7ccccc7)cc6)cc(-c6ccc(-c7ccccc7)cc6)cc5c4c3)=NC(c3ccccc3)[N-]2)cc1.
What is the InChIKey of 2-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene?
The InChIKey is SFRNRNZCLWDCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N3O/c1-5-13-34(14-6-1)36-21-23-38(24-22-36)43-32-44(39-27-25-37(26-28-39)35-15-7-2-8-16-35)48-46(33-43)45-31-42(29-30-47(45)55-48)51-53-49(40-17-9-3-10-18-40)52-50(54-51)41-19-11-4-12-20-41/h1-33,49H/q-1.
What are the key properties of 2-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene?
2-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene has a molecular weight of 704.85 g/mol, XLogP of 13.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene is sourced from PubChem (CID 142343054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).