6-cyclohexyl-N-[4-(9H-fluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine

C53H41NO — CID 167397853

IUPAC6-cyclohexyl-N-[4-(9H-fluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc2c(c1)Cc1c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)cc3)cccc1-2
InChIInChI=1S/C53H41NO/c1-2-12-36(13-3-1)46-21-10-23-48-49-24-11-25-51(53(49)55-52(46)48)54(40-30-26-37(27-31-40)43-19-8-16-35-14-4-6-17-42(35)43)41-32-28-38(29-33-41)44-20-9-22-47-45-18-7-5-15-39(45)34-50(44)47/h4-11,14-33,36H,1-3,12-13,34H2
InChIKeyKRELXDCQDIDJQO-UHFFFAOYSA-N
MW707.92 g/mol
LogP15.16
Rot. Bonds6

About 6-cyclohexyl-N-[4-(9H-fluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine

6-cyclohexyl-N-[4-(9H-fluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine (PubChem CID 167397853) has the molecular formula C53H41NO and a molecular weight of 707.92 g/mol. Its IUPAC name is 6-cyclohexyl-N-[4-(9H-fluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6-cyclohexyl-N-[4-(9H-fluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
PubChem CID167397853
Molecular FormulaC53H41NO
Molecular Weight707.92 g/mol
Exact Mass707.32
IUPAC Name6-cyclohexyl-N-[4-(9H-fluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc2c(c1)Cc1c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)cc3)cccc1-2
InChIInChI=1S/C53H41NO/c1-2-12-36(13-3-1)46-21-10-23-48-49-24-11-25-51(53(49)55-52(46)48)54(40-30-26-37(27-31-40)43-19-8-16-35-14-4-6-17-42(35)43)41-32-28-38(29-33-41)44-20-9-22-47-45-18-7-5-15-39(45)34-50(44)47/h4-11,14-33,36H,1-3,12-13,34H2
InChIKeyKRELXDCQDIDJQO-UHFFFAOYSA-N
XLogP15.16
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.92
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyclohexyl-N-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 167397481
4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 90263193
6-cyclohexyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
CID 90139832
6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 165082497
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170300908
1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
CID 144918646
8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine
CID 167090878
6-N,18-N-bis(6-cyclopentyldibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 157323255
6-cyclohexyl-N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaenyl)-N-phenyldibenzofuran-4-amine
CID 90140395
6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine
CID 90140016
6-N,18-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine;6-N,18-N-bis(6-cyclopentyldibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine;6-N,18-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine
CID 157354133
6-(4-naphthalen-1-ylphenyl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295749

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-[4-(9H-fluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of 6-cyclohexyl-N-[4-(9H-fluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine (CID 167397853) is 6-cyclohexyl-N-[4-(9H-fluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 6-cyclohexyl-N-[4-(9H-fluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 6-cyclohexyl-N-[4-(9H-fluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine is c1ccc2c(c1)Cc1c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)cc3)cccc1-2.
What is the InChIKey of 6-cyclohexyl-N-[4-(9H-fluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The InChIKey is KRELXDCQDIDJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41NO/c1-2-12-36(13-3-1)46-21-10-23-48-49-24-11-25-51(53(49)55-52(46)48)54(40-30-26-37(27-31-40)43-19-8-16-35-14-4-6-17-42(35)43)41-32-28-38(29-33-41)44-20-9-22-47-45-18-7-5-15-39(45)34-50(44)47/h4-11,14-33,36H,1-3,12-13,34H2.
What are the key properties of 6-cyclohexyl-N-[4-(9H-fluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
6-cyclohexyl-N-[4-(9H-fluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine has a molecular weight of 707.92 g/mol, XLogP of 15.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-[4-(9H-fluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 167397853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).