9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine

C64H44N4O — CID 129194460

IUPAC9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccc(N(c4ccccc4)c4ccc5c(c4)c4cc(N(c6ccccc6)c6ccccc6)ccc4n5-c4cccc5ccccc45)cc23)cc1
InChIInChI=1S/C64H44N4O/c1-6-21-46(22-7-1)65(47-23-8-2-9-24-47)51-34-38-61-57(41-51)58-42-52(35-39-62(58)68(61)60-32-18-20-45-19-16-17-31-55(45)60)67(50-29-14-5-15-30-50)53-36-40-63-59(43-53)56-37-33-54(44-64(56)69-63)66(48-25-10-3-11-26-48)49-27-12-4-13-28-49/h1-44H
InChIKeyGTBFBXFTIISSQN-UHFFFAOYSA-N
MW885.08 g/mol
LogP18.25
Rot. Bonds10

About 9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine

9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine (PubChem CID 129194460) has the molecular formula C64H44N4O and a molecular weight of 885.08 g/mol. Its IUPAC name is 9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine.

Molecular Properties

Compound Name9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine
PubChem CID129194460
Molecular FormulaC64H44N4O
Molecular Weight885.08 g/mol
Exact Mass884.35
IUPAC Name9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccc(N(c4ccccc4)c4ccc5c(c4)c4cc(N(c6ccccc6)c6ccccc6)ccc4n5-c4cccc5ccccc45)cc23)cc1
InChIInChI=1S/C64H44N4O/c1-6-21-46(22-7-1)65(47-23-8-2-9-24-47)51-34-38-61-57(41-51)58-42-52(35-39-62(58)68(61)60-32-18-20-45-19-16-17-31-55(45)60)67(50-29-14-5-15-30-50)53-36-40-63-59(43-53)56-37-33-54(44-64(56)69-63)66(48-25-10-3-11-26-48)49-27-12-4-13-28-49/h1-44H
InChIKeyGTBFBXFTIISSQN-UHFFFAOYSA-N
XLogP18.25
TPSA27.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.08
LogP ≤ 518.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 121311213
3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830
N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085104
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
2-N-dibenzofuran-2-yl-7-N,7-N-diphenyl-2-N-[8-(N-phenylanilino)dibenzofuran-2-yl]dibenzofuran-2,7-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine
CID 158809298
N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168809142
N-dibenzofuran-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine;N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
CID 165097642
1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59816034
3-N-dibenzofuran-2-yl-1-N-dibenzofuran-3-yl-3-N-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-6-yl)-1-N-phenylbenzene-1,3-diamine
CID 170410406
8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine
CID 161307551
N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
CID 164794829
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine
CID 90050696

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine?
The IUPAC name of 9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine (CID 129194460) is 9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine.
What is the SMILES notation for 9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine?
The canonical SMILES for 9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccc(N(c4ccccc4)c4ccc5c(c4)c4cc(N(c6ccccc6)c6ccccc6)ccc4n5-c4cccc5ccccc45)cc23)cc1.
What is the InChIKey of 9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine?
The InChIKey is GTBFBXFTIISSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N4O/c1-6-21-46(22-7-1)65(47-23-8-2-9-24-47)51-34-38-61-57(41-51)58-42-52(35-39-62(58)68(61)60-32-18-20-45-19-16-17-31-55(45)60)67(50-29-14-5-15-30-50)53-36-40-63-59(43-53)56-37-33-54(44-64(56)69-63)66(48-25-10-3-11-26-48)49-27-12-4-13-28-49/h1-44H.
What are the key properties of 9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine?
9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine has a molecular weight of 885.08 g/mol, XLogP of 18.25, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine is sourced from PubChem (CID 129194460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).