12-ethyl-12-methyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-1-amine

C46H35NO — CID 134393126

IUPAC12-ethyl-12-methyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-1-amine
SMILESCCC1(C)c2c(cccc2N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)-c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C46H35NO/c1-3-46(2)43-38(39-28-29-40-37-20-10-11-23-42(37)48-45(40)44(39)46)21-13-22-41(43)47(35-26-24-33(25-27-35)31-14-6-4-7-15-31)36-19-12-18-34(30-36)32-16-8-5-9-17-32/h4-30H,3H2,1-2H3
InChIKeyNONIPRCRRVLATB-UHFFFAOYSA-N
MW617.79 g/mol
LogP13.09
Rot. Bonds6

About 12-ethyl-12-methyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-1-amine

12-ethyl-12-methyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-1-amine (PubChem CID 134393126) has the molecular formula C46H35NO and a molecular weight of 617.79 g/mol. Its IUPAC name is 12-ethyl-12-methyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-1-amine.

Molecular Properties

Compound Name12-ethyl-12-methyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-1-amine
PubChem CID134393126
Molecular FormulaC46H35NO
Molecular Weight617.79 g/mol
Exact Mass617.27
IUPAC Name12-ethyl-12-methyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-1-amine
SMILESCCC1(C)c2c(cccc2N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)-c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C46H35NO/c1-3-46(2)43-38(39-28-29-40-37-20-10-11-23-42(37)48-45(40)44(39)46)21-13-22-41(43)47(35-26-24-33(25-27-35)31-14-6-4-7-15-31)36-19-12-18-34(30-36)32-16-8-5-9-17-32/h4-30H,3H2,1-2H3
InChIKeyNONIPRCRRVLATB-UHFFFAOYSA-N
XLogP13.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.79
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 177080188
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(20-ethyl-20-methyl-3-oxa-18-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaen-16-yl)phenyl]-3-phenylaniline
CID 134393158
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139297889
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168803987
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501677
N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501323
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 159844294
4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-(4-dibenzofuran-3-ylphenyl)-2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine;4-N-(4-dibenzofuran-3-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 157103465
N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
CID 67964367
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796

Frequently Asked Questions

What is the IUPAC name of 12-ethyl-12-methyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-1-amine?
The IUPAC name of 12-ethyl-12-methyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-1-amine (CID 134393126) is 12-ethyl-12-methyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-1-amine.
What is the SMILES notation for 12-ethyl-12-methyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-1-amine?
The canonical SMILES for 12-ethyl-12-methyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-1-amine is CCC1(C)c2c(cccc2N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)-c2ccc3c(oc4ccccc43)c21.
What is the InChIKey of 12-ethyl-12-methyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-1-amine?
The InChIKey is NONIPRCRRVLATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35NO/c1-3-46(2)43-38(39-28-29-40-37-20-10-11-23-42(37)48-45(40)44(39)46)21-13-22-41(43)47(35-26-24-33(25-27-35)31-14-6-4-7-15-31)36-19-12-18-34(30-36)32-16-8-5-9-17-32/h4-30H,3H2,1-2H3.
What are the key properties of 12-ethyl-12-methyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-1-amine?
12-ethyl-12-methyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-1-amine has a molecular weight of 617.79 g/mol, XLogP of 13.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-12-methyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-1-amine is sourced from PubChem (CID 134393126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).