6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine

C52H39NO — CID 90140016

IUPAC6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc4ccccc4c2-3)c2cccc3c2oc2c(C4CCCC4)cccc23)cc1
InChIInChI=1S/C52H39NO/c1-4-19-37(20-5-1)52(38-21-6-2-7-22-38)46-33-30-36-18-12-13-25-41(36)49(46)45-32-31-40(34-47(45)52)53(39-23-8-3-9-24-39)48-29-15-28-44-43-27-14-26-42(35-16-10-11-17-35)50(43)54-51(44)48/h1-9,12-15,18-35H,10-11,16-17H2
InChIKeyJDIQJRZKMGSPGW-UHFFFAOYSA-N
MW693.89 g/mol
LogP14.23
Rot. Bonds6

About 6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine

6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine (PubChem CID 90140016) has the molecular formula C52H39NO and a molecular weight of 693.89 g/mol. Its IUPAC name is 6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine
PubChem CID90140016
Molecular FormulaC52H39NO
Molecular Weight693.89 g/mol
Exact Mass693.30
IUPAC Name6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc4ccccc4c2-3)c2cccc3c2oc2c(C4CCCC4)cccc23)cc1
InChIInChI=1S/C52H39NO/c1-4-19-37(20-5-1)52(38-21-6-2-7-22-38)46-33-30-36-18-12-13-25-41(36)49(46)45-32-31-40(34-47(45)52)53(39-23-8-3-9-24-39)48-29-15-28-44-43-27-14-26-42(35-16-10-11-17-35)50(43)54-51(44)48/h1-9,12-15,18-35H,10-11,16-17H2
InChIKeyJDIQJRZKMGSPGW-UHFFFAOYSA-N
XLogP14.23
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.89
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
5-N,9-N-bis(6-cyclopentyldibenzofuran-4-yl)-7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)benzo[c]fluorene-5,9-diamine
CID 90139959
6-cyclohexyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
CID 90139832
9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 145353152
5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 171741136
9-N,17-N-bis(6-cyclohexyldibenzofuran-4-yl)-12,12-dimethyl-9-N,17-N-diphenylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine
CID 90140354
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 170303690
N-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine
CID 130369418
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121378
7,7-diphenyl-N,N-bis(4-phenylphenyl)benzo[c]fluoren-4-amine;N-(9,9-diphenylfluoren-2-yl)-N,7,7-triphenylbenzo[c]fluoren-11-amine;N,N,7,7-tetraphenylbenzo[c]fluoren-4-amine;N,7,7-triphenyl-N-(4-phenylphenyl)benzo[c]fluoren-4-amine
CID 160577595
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-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 165082497

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine?
The IUPAC name of 6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine (CID 90140016) is 6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for 6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine?
The canonical SMILES for 6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine is c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc4ccccc4c2-3)c2cccc3c2oc2c(C4CCCC4)cccc23)cc1.
What is the InChIKey of 6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine?
The InChIKey is JDIQJRZKMGSPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NO/c1-4-19-37(20-5-1)52(38-21-6-2-7-22-38)46-33-30-36-18-12-13-25-41(36)49(46)45-32-31-40(34-47(45)52)53(39-23-8-3-9-24-39)48-29-15-28-44-43-27-14-26-42(35-16-10-11-17-35)50(43)54-51(44)48/h1-9,12-15,18-35H,10-11,16-17H2.
What are the key properties of 6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine?
6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine has a molecular weight of 693.89 g/mol, XLogP of 14.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 90140016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).