N-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine

C51H34N4O — CID 146337919

IUPACN-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine
SMILESCN(c1ccccc1)c1cc2c3ccccc3n(-c3cccc4c3oc3cccc(-c5nc(-c6ccccc6)c6ccccc6n5)c34)c2cc1-c1ccccc1
InChIInChI=1S/C51H34N4O/c1-54(35-21-9-4-10-22-35)45-32-41-36-23-12-14-28-43(36)55(46(41)31-40(45)33-17-5-2-6-18-33)44-29-15-25-38-48-39(26-16-30-47(48)56-50(38)44)51-52-42-27-13-11-24-37(42)49(53-51)34-19-7-3-8-20-34/h2-32H,1H3
InChIKeyJXXHGKCJQKGSOM-UHFFFAOYSA-N
MW718.86 g/mol
LogP13.40
Rot. Bonds6

About N-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine

N-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine (PubChem CID 146337919) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is N-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine.

Molecular Properties

Compound NameN-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine
PubChem CID146337919
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC NameN-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine
SMILESCN(c1ccccc1)c1cc2c3ccccc3n(-c3cccc4c3oc3cccc(-c5nc(-c6ccccc6)c6ccccc6n5)c34)c2cc1-c1ccccc1
InChIInChI=1S/C51H34N4O/c1-54(35-21-9-4-10-22-35)45-32-41-36-23-12-14-28-43(36)55(46(41)31-40(45)33-17-5-2-6-18-33)44-29-15-25-38-48-39(26-16-30-47(48)56-50(38)44)51-52-42-27-13-11-24-37(42)49(53-51)34-19-7-3-8-20-34/h2-32H,1H3
InChIKeyJXXHGKCJQKGSOM-UHFFFAOYSA-N
XLogP13.40
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole
CID 146337804
5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 164707859
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146334282
14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 146334317
7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole
CID 154947939
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole;5-phenyl-11-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-b]carbazole;5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]indolo[3,2-b]carbazole
CID 158659259
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 146491297
5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole
CID 146334039
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146333950
9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole
CID 176773398
9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080349
7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5-phenylbenzo[c]carbazole
CID 146491296

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine?
The IUPAC name of N-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine (CID 146337919) is N-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine.
What is the SMILES notation for N-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine?
The canonical SMILES for N-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine is CN(c1ccccc1)c1cc2c3ccccc3n(-c3cccc4c3oc3cccc(-c5nc(-c6ccccc6)c6ccccc6n5)c34)c2cc1-c1ccccc1.
What is the InChIKey of N-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine?
The InChIKey is JXXHGKCJQKGSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-54(35-21-9-4-10-22-35)45-32-41-36-23-12-14-28-43(36)55(46(41)31-40(45)33-17-5-2-6-18-33)44-29-15-25-38-48-39(26-16-30-47(48)56-50(38)44)51-52-42-27-13-11-24-37(42)49(53-51)34-19-7-3-8-20-34/h2-32H,1H3.
What are the key properties of N-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine?
N-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine has a molecular weight of 718.86 g/mol, XLogP of 13.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine is sourced from PubChem (CID 146337919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).