10-methyl-N-[4-(2-methylphenyl)phenyl]-N-phenylspiro[9,10-dihydrobenzo[a]fluorene-11,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine

C55H39NO — CID 160674353

IUPAC10-methyl-N-[4-(2-methylphenyl)phenyl]-N-phenylspiro[9,10-dihydrobenzo[a]fluorene-11,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine
SMILESCc1ccccc1-c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(C4=C(C=CCC4C)c4ccc5ccccc5c42)c2ccc4c(oc5ccccc54)c2-3)cc1
InChIInChI=1S/C55H39NO/c1-34-13-6-8-18-41(34)37-23-26-39(27-24-37)56(38-16-4-3-5-17-38)40-28-30-47-49(33-40)55(48-32-31-46-43-20-10-11-22-50(43)57-54(46)51(47)48)52-35(2)14-12-21-44(52)45-29-25-36-15-7-9-19-42(36)53(45)55/h3-13,15-33,35H,14H2,1-2H3
InChIKeyRNIOTSVTAZEKCY-UHFFFAOYSA-N
MW729.92 g/mol
LogP14.86
Rot. Bonds4

About 10-methyl-N-[4-(2-methylphenyl)phenyl]-N-phenylspiro[9,10-dihydrobenzo[a]fluorene-11,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine

10-methyl-N-[4-(2-methylphenyl)phenyl]-N-phenylspiro[9,10-dihydrobenzo[a]fluorene-11,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine (PubChem CID 160674353) has the molecular formula C55H39NO and a molecular weight of 729.92 g/mol. Its IUPAC name is 10-methyl-N-[4-(2-methylphenyl)phenyl]-N-phenylspiro[9,10-dihydrobenzo[a]fluorene-11,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine.

Molecular Properties

Compound Name10-methyl-N-[4-(2-methylphenyl)phenyl]-N-phenylspiro[9,10-dihydrobenzo[a]fluorene-11,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine
PubChem CID160674353
Molecular FormulaC55H39NO
Molecular Weight729.92 g/mol
Exact Mass729.30
IUPAC Name10-methyl-N-[4-(2-methylphenyl)phenyl]-N-phenylspiro[9,10-dihydrobenzo[a]fluorene-11,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine
SMILESCc1ccccc1-c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(C4=C(C=CCC4C)c4ccc5ccccc5c42)c2ccc4c(oc5ccccc54)c2-3)cc1
InChIInChI=1S/C55H39NO/c1-34-13-6-8-18-41(34)37-23-26-39(27-24-37)56(38-16-4-3-5-17-38)40-28-30-47-49(33-40)55(48-32-31-46-43-20-10-11-22-50(43)57-54(46)51(47)48)52-35(2)14-12-21-44(52)45-29-25-36-15-7-9-19-42(36)53(45)55/h3-13,15-33,35H,14H2,1-2H3
InChIKeyRNIOTSVTAZEKCY-UHFFFAOYSA-N
XLogP14.86
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.92
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 161155666
7,7-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 118405244
N,N-bis(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine
CID 161119301
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 137392478
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;7,7-diphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine
CID 160730060
9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine
CID 121391719
2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine
CID 121444465
N-dibenzofuran-2-yl-7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-dibenzofuran-4-yl-7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;7,7-dimethyl-N-phenanthren-2-yl-N-phenylfluoreno[5,6-b][1]benzofuran-9-amine;N-(4-naphthalen-2-ylphenyl)-N,7,7-triphenylfluoreno[5,6-b][1]benzofuran-9-amine
CID 165102983
N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine
CID 137493510
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine
CID 164985809
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine;N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine
CID 165108613
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-2-amine
CID 129087109

Frequently Asked Questions

What is the IUPAC name of 10-methyl-N-[4-(2-methylphenyl)phenyl]-N-phenylspiro[9,10-dihydrobenzo[a]fluorene-11,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine?
The IUPAC name of 10-methyl-N-[4-(2-methylphenyl)phenyl]-N-phenylspiro[9,10-dihydrobenzo[a]fluorene-11,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine (CID 160674353) is 10-methyl-N-[4-(2-methylphenyl)phenyl]-N-phenylspiro[9,10-dihydrobenzo[a]fluorene-11,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine.
What is the SMILES notation for 10-methyl-N-[4-(2-methylphenyl)phenyl]-N-phenylspiro[9,10-dihydrobenzo[a]fluorene-11,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine?
The canonical SMILES for 10-methyl-N-[4-(2-methylphenyl)phenyl]-N-phenylspiro[9,10-dihydrobenzo[a]fluorene-11,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine is Cc1ccccc1-c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(C4=C(C=CCC4C)c4ccc5ccccc5c42)c2ccc4c(oc5ccccc54)c2-3)cc1.
What is the InChIKey of 10-methyl-N-[4-(2-methylphenyl)phenyl]-N-phenylspiro[9,10-dihydrobenzo[a]fluorene-11,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine?
The InChIKey is RNIOTSVTAZEKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO/c1-34-13-6-8-18-41(34)37-23-26-39(27-24-37)56(38-16-4-3-5-17-38)40-28-30-47-49(33-40)55(48-32-31-46-43-20-10-11-22-50(43)57-54(46)51(47)48)52-35(2)14-12-21-44(52)45-29-25-36-15-7-9-19-42(36)53(45)55/h3-13,15-33,35H,14H2,1-2H3.
What are the key properties of 10-methyl-N-[4-(2-methylphenyl)phenyl]-N-phenylspiro[9,10-dihydrobenzo[a]fluorene-11,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine?
10-methyl-N-[4-(2-methylphenyl)phenyl]-N-phenylspiro[9,10-dihydrobenzo[a]fluorene-11,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine has a molecular weight of 729.92 g/mol, XLogP of 14.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-N-[4-(2-methylphenyl)phenyl]-N-phenylspiro[9,10-dihydrobenzo[a]fluorene-11,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine is sourced from PubChem (CID 160674353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).