N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine

C64H42N2O — CID 118462718

IUPACN-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5cccc(-c6cccc(N(c7ccc8oc9ccccc9c8c7)c7cccc8ccccc78)c6)c5)ccc43)c2)cc1
InChIInChI=1S/C64H42N2O/c1-3-16-43(17-4-1)50-37-51(44-18-5-2-6-19-44)40-54(39-50)66-61-29-11-9-27-56(61)58-41-49(32-34-62(58)66)47-23-13-22-46(36-47)48-24-14-25-52(38-48)65(60-30-15-21-45-20-7-8-26-55(45)60)53-33-35-64-59(42-53)57-28-10-12-31-63(57)67-64/h1-42H
InChIKeyHORCZVRFLNOALP-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

About N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine

N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine (PubChem CID 118462718) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
PubChem CID118462718
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5cccc(-c6cccc(N(c7ccc8oc9ccccc9c8c7)c7cccc8ccccc78)c6)c5)ccc43)c2)cc1
InChIInChI=1S/C64H42N2O/c1-3-16-43(17-4-1)50-37-51(44-18-5-2-6-19-44)40-54(39-50)66-61-29-11-9-27-56(61)58-41-49(32-34-62(58)66)47-23-13-22-46(36-47)48-24-14-25-52(38-48)65(60-30-15-21-45-20-7-8-26-55(45)60)53-33-35-64-59(42-53)57-28-10-12-31-63(57)67-64/h1-42H
InChIKeyHORCZVRFLNOALP-UHFFFAOYSA-N
XLogP17.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.05
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 118087617
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
CID 58510838
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine
CID 153314840
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
3-N-dibenzofuran-2-yl-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176781523
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157190055
N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 118087639
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 121260620
N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298779
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-2-amine;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165024004
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-1-amine
CID 148923282

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine?
The IUPAC name of N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine (CID 118462718) is N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine.
What is the SMILES notation for N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine?
The canonical SMILES for N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5cccc(-c6cccc(N(c7ccc8oc9ccccc9c8c7)c7cccc8ccccc78)c6)c5)ccc43)c2)cc1.
What is the InChIKey of N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine?
The InChIKey is HORCZVRFLNOALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-3-16-43(17-4-1)50-37-51(44-18-5-2-6-19-44)40-54(39-50)66-61-29-11-9-27-56(61)58-41-49(32-34-62(58)66)47-23-13-22-46(36-47)48-24-14-25-52(38-48)65(60-30-15-21-45-20-7-8-26-55(45)60)53-33-35-64-59(42-53)57-28-10-12-31-63(57)67-64/h1-42H.
What are the key properties of N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine?
N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine has a molecular weight of 855.05 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine is sourced from PubChem (CID 118462718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).