N-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine

C61H38N4O — CID 154936555

IUPACN-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
SMILESc1ccc(N(c2ccc3c(c2)c2c(n3-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)-c3ccccc3C23c2ccccc2-c2ccccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C61H38N4O/c1-2-17-41(18-3-1)64(56-29-16-23-47-46-21-7-11-30-57(46)66-60(47)56)42-31-32-55-49(38-42)58-59(65(55)43-36-39(53-27-12-14-33-62-53)35-40(37-43)54-28-13-15-34-63-54)48-22-6-10-26-52(48)61(58)50-24-8-4-19-44(50)45-20-5-9-25-51(45)61/h1-38H
InChIKeySAMPEUSCWMCZFF-UHFFFAOYSA-N
MW843.00 g/mol
LogP15.47
Rot. Bonds6

About N-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine

N-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine (PubChem CID 154936555) has the molecular formula C61H38N4O and a molecular weight of 843.00 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
PubChem CID154936555
Molecular FormulaC61H38N4O
Molecular Weight843.00 g/mol
Exact Mass842.30
IUPAC NameN-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
SMILESc1ccc(N(c2ccc3c(c2)c2c(n3-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)-c3ccccc3C23c2ccccc2-c2ccccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C61H38N4O/c1-2-17-41(18-3-1)64(56-29-16-23-47-46-21-7-11-30-57(46)66-60(47)56)42-31-32-55-49(38-42)58-59(65(55)43-36-39(53-27-12-14-33-62-53)35-40(37-43)54-28-13-15-34-63-54)48-22-6-10-26-52(48)61(58)50-24-8-4-19-44(50)45-20-5-9-25-51(45)61/h1-38H
InChIKeySAMPEUSCWMCZFF-UHFFFAOYSA-N
XLogP15.47
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.00
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
CID 166751324
3-N-dibenzofuran-4-yl-1-N-phenyl-1-N-(4-phenylphenyl)-3-N-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine
CID 167118056
3-N-dibenzofuran-4-yl-1-N-phenyl-1-N-(4-phenylphenyl)-3-N-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)benzene-1,3-diamine
CID 170690324
N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167117957
3-N-dibenzofuran-4-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine
CID 170690223
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424255
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine;9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylphenyl)carbazol-3-amine
CID 161326780
N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167177472
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337
N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 122675407
N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 164960101
5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile
CID 166751204

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine?
The IUPAC name of N-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine (CID 154936555) is N-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine?
The canonical SMILES for N-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine is c1ccc(N(c2ccc3c(c2)c2c(n3-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)-c3ccccc3C23c2ccccc2-c2ccccc23)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine?
The InChIKey is SAMPEUSCWMCZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N4O/c1-2-17-41(18-3-1)64(56-29-16-23-47-46-21-7-11-30-57(46)66-60(47)56)42-31-32-55-49(38-42)58-59(65(55)43-36-39(53-27-12-14-33-62-53)35-40(37-43)54-28-13-15-34-63-54)48-22-6-10-26-52(48)61(58)50-24-8-4-19-44(50)45-20-5-9-25-51(45)61/h1-38H.
What are the key properties of N-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine?
N-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine has a molecular weight of 843.00 g/mol, XLogP of 15.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine is sourced from PubChem (CID 154936555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).