N-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine

C83H52N2O3 — CID 171053564

IUPACN-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4oc(-c5ccccc5)c5c4C4(c6ccccc6-c6ccccc64)c4cc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)oc6ccccc67)ccc4-5)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C83H52N2O3/c1-4-19-53(20-5-1)55-35-39-59(40-36-55)84(63-43-46-69-67-29-12-16-33-75(67)86-77(69)51-63)61-26-18-25-58(49-61)82-80-79(81(88-82)57-23-8-3-9-24-57)71-48-45-62(50-74(71)83(80)72-31-14-10-27-65(72)66-28-11-15-32-73(66)83)85(60-41-37-56(38-42-60)54-21-6-2-7-22-54)64-44-47-70-68-30-13-17-34-76(68)87-78(70)52-64/h1-52H
InChIKeyKCHKAUQPLVHZDN-UHFFFAOYSA-N
MW1125.34 g/mol
LogP23.03
Rot. Bonds10

About N-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine

N-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine (PubChem CID 171053564) has the molecular formula C83H52N2O3 and a molecular weight of 1125.34 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine
PubChem CID171053564
Molecular FormulaC83H52N2O3
Molecular Weight1125.34 g/mol
Exact Mass1124.40
IUPAC NameN-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4oc(-c5ccccc5)c5c4C4(c6ccccc6-c6ccccc64)c4cc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)oc6ccccc67)ccc4-5)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C83H52N2O3/c1-4-19-53(20-5-1)55-35-39-59(40-36-55)84(63-43-46-69-67-29-12-16-33-75(67)86-77(69)51-63)61-26-18-25-58(49-61)82-80-79(81(88-82)57-23-8-3-9-24-57)71-48-45-62(50-74(71)83(80)72-31-14-10-27-65(72)66-28-11-15-32-73(66)83)85(60-41-37-56(38-42-60)54-21-6-2-7-22-54)64-44-47-70-68-30-13-17-34-76(68)87-78(70)52-64/h1-52H
InChIKeyKCHKAUQPLVHZDN-UHFFFAOYSA-N
XLogP23.03
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.34
LogP ≤ 523.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine with MolForge

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Related Compounds

N-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167352723
N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-3-amine
CID 168771578
N-(3-dibenzofuran-2-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298560
N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
CID 134529774
2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 134529735
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167293276
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170666163
N-(2-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)dibenzofuran-3-amine
CID 157361279
7-N,19-N-bis(4-phenylphenyl)-7-N,19-N-bis(9,9'-spirobi[fluorene]-2-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303332
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177113965

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine?
The IUPAC name of N-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine (CID 171053564) is N-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine?
The canonical SMILES for N-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine is c1ccc(-c2ccc(N(c3cccc(-c4oc(-c5ccccc5)c5c4C4(c6ccccc6-c6ccccc64)c4cc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)oc6ccccc67)ccc4-5)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine?
The InChIKey is KCHKAUQPLVHZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H52N2O3/c1-4-19-53(20-5-1)55-35-39-59(40-36-55)84(63-43-46-69-67-29-12-16-33-75(67)86-77(69)51-63)61-26-18-25-58(49-61)82-80-79(81(88-82)57-23-8-3-9-24-57)71-48-45-62(50-74(71)83(80)72-31-14-10-27-65(72)66-28-11-15-32-73(66)83)85(60-41-37-56(38-42-60)54-21-6-2-7-22-54)64-44-47-70-68-30-13-17-34-76(68)87-78(70)52-64/h1-52H.
What are the key properties of N-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine?
N-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine has a molecular weight of 1125.34 g/mol, XLogP of 23.03, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine is sourced from PubChem (CID 171053564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).