4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine

C55H37N3O — CID 169048383

IUPAC4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C55H37N3O/c1-4-15-38(16-5-1)40-27-31-45(32-28-40)57(46-33-29-41(30-34-46)39-17-6-2-7-18-39)51-36-35-47(54-53(51)48-23-10-13-26-52(48)59-54)42-19-14-20-43(37-42)55-56-49-24-11-12-25-50(49)58(55)44-21-8-3-9-22-44/h1-37H
InChIKeyWZVMKQQZCFPURS-UHFFFAOYSA-N
MW755.92 g/mol
LogP15.06
Rot. Bonds8

About 4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine

4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 169048383) has the molecular formula C55H37N3O and a molecular weight of 755.92 g/mol. Its IUPAC name is 4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID169048383
Molecular FormulaC55H37N3O
Molecular Weight755.92 g/mol
Exact Mass755.29
IUPAC Name4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C55H37N3O/c1-4-15-38(16-5-1)40-27-31-45(32-28-40)57(46-33-29-41(30-34-46)39-17-6-2-7-18-39)51-36-35-47(54-53(51)48-23-10-13-26-52(48)59-54)42-19-14-20-43(37-42)55-56-49-24-11-12-25-50(49)58(55)44-21-8-3-9-22-44/h1-37H
InChIKeyWZVMKQQZCFPURS-UHFFFAOYSA-N
XLogP15.06
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.92
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-3-yl-N-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]dibenzofuran-3-amine;4-phenyl-N,N-bis[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 161463384
6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129087743
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
CID 168847677
N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820754
6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085901
6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129086228
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-1-amine
CID 176608271
4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608337
4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609428
14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123629
4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176608684
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609708

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine (CID 169048383) is 4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of 4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is WZVMKQQZCFPURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3O/c1-4-15-38(16-5-1)40-27-31-45(32-28-40)57(46-33-29-41(30-34-46)39-17-6-2-7-18-39)51-36-35-47(54-53(51)48-23-10-13-26-52(48)59-54)42-19-14-20-43(37-42)55-56-49-24-11-12-25-50(49)58(55)44-21-8-3-9-22-44/h1-37H.
What are the key properties of 4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine?
4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 755.92 g/mol, XLogP of 15.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 169048383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).