2-methyl-N-phenyl-N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethenyl]aniline

C45H32N2O — CID 145202914

IUPAC2-methyl-N-phenyl-N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethenyl]aniline
SMILESC=C(c1cccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c12)N(c1ccccc1)c1ccccc1C
InChIInChI=1S/C45H32N2O/c1-30-14-9-11-21-40(30)46(34-15-5-3-6-16-34)31(2)36-20-13-23-44-45(36)39-29-33(25-27-43(39)48-44)32-24-26-42-38(28-32)37-19-10-12-22-41(37)47(42)35-17-7-4-8-18-35/h3-29H,2H2,1H3
InChIKeyGLTSPLCGJRUJLN-UHFFFAOYSA-N
MW616.76 g/mol
LogP12.47
Rot. Bonds6

About 2-methyl-N-phenyl-N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethenyl]aniline

2-methyl-N-phenyl-N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethenyl]aniline (PubChem CID 145202914) has the molecular formula C45H32N2O and a molecular weight of 616.76 g/mol. Its IUPAC name is 2-methyl-N-phenyl-N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethenyl]aniline.

Molecular Properties

Compound Name2-methyl-N-phenyl-N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethenyl]aniline
PubChem CID145202914
Molecular FormulaC45H32N2O
Molecular Weight616.76 g/mol
Exact Mass616.25
IUPAC Name2-methyl-N-phenyl-N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethenyl]aniline
SMILESC=C(c1cccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c12)N(c1ccccc1)c1ccccc1C
InChIInChI=1S/C45H32N2O/c1-30-14-9-11-21-40(30)46(34-15-5-3-6-16-34)31(2)36-20-13-23-44-45(36)39-29-33(25-27-43(39)48-44)32-24-26-42-38(28-32)37-19-10-12-22-41(37)47(42)35-17-7-4-8-18-35/h3-29H,2H2,1H3
InChIKeyGLTSPLCGJRUJLN-UHFFFAOYSA-N
XLogP12.47
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.76
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163499661
N-[[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]methylidene]-N'-(1-phenylethenyl)benzenecarboximidamide
CID 144955964
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577647
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
14-phenyl-18-(9-phenylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 118298646
N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138577550
N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethylidene]-N'-(1-phenylethenyl)dibenzothiophene-1-carboximidamide
CID 118507972

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethenyl]aniline?
The IUPAC name of 2-methyl-N-phenyl-N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethenyl]aniline (CID 145202914) is 2-methyl-N-phenyl-N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethenyl]aniline.
What is the SMILES notation for 2-methyl-N-phenyl-N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethenyl]aniline?
The canonical SMILES for 2-methyl-N-phenyl-N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethenyl]aniline is C=C(c1cccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c12)N(c1ccccc1)c1ccccc1C.
What is the InChIKey of 2-methyl-N-phenyl-N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethenyl]aniline?
The InChIKey is GLTSPLCGJRUJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2O/c1-30-14-9-11-21-40(30)46(34-15-5-3-6-16-34)31(2)36-20-13-23-44-45(36)39-29-33(25-27-43(39)48-44)32-24-26-42-38(28-32)37-19-10-12-22-41(37)47(42)35-17-7-4-8-18-35/h3-29H,2H2,1H3.
What are the key properties of 2-methyl-N-phenyl-N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethenyl]aniline?
2-methyl-N-phenyl-N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethenyl]aniline has a molecular weight of 616.76 g/mol, XLogP of 12.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethenyl]aniline is sourced from PubChem (CID 145202914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).