N-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine

C58H37N3O — CID 71038542

IUPACN-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cc4)cc32)cc1
InChIInChI=1S/C58H37N3O/c1-2-14-40(15-3-1)60-51-22-10-6-20-47(51)48-32-28-39(36-56(48)60)38-26-29-41(30-27-38)59(42-31-35-58-50(37-42)49-21-9-13-25-57(49)62-58)54-33-34-55(46-17-5-4-16-45(46)54)61-52-23-11-7-18-43(52)44-19-8-12-24-53(44)61/h1-37H
InChIKeyMTFVSYUOLCDOJG-UHFFFAOYSA-N
MW791.95 g/mol
LogP16.07
Rot. Bonds6

About N-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine

N-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine (PubChem CID 71038542) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is N-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine
PubChem CID71038542
Molecular FormulaC58H37N3O
Molecular Weight791.95 g/mol
Exact Mass791.29
IUPAC NameN-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cc4)cc32)cc1
InChIInChI=1S/C58H37N3O/c1-2-14-40(15-3-1)60-51-22-10-6-20-47(51)48-32-28-39(36-56(48)60)38-26-29-41(30-27-38)59(42-31-35-58-50(37-42)49-21-9-13-25-57(49)62-58)54-33-34-55(46-17-5-4-16-45(46)54)61-52-23-11-7-18-43(52)44-19-8-12-24-53(44)61/h1-37H
InChIKeyMTFVSYUOLCDOJG-UHFFFAOYSA-N
XLogP16.07
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine
CID 89212986
N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
CID 171057527
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
1-N-phenyl-3-N-[7-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 149038189
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 118289224
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-N,N-diphenylaniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine
CID 159949302
N-(4-carbazol-9-ylnaphthalen-1-yl)-4-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine
CID 89213110
9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167143696
3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline
CID 161194033
N-(4-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 146578329

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine (CID 71038542) is N-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cc4)cc32)cc1.
What is the InChIKey of N-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine?
The InChIKey is MTFVSYUOLCDOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-2-14-40(15-3-1)60-51-22-10-6-20-47(51)48-32-28-39(36-56(48)60)38-26-29-41(30-27-38)59(42-31-35-58-50(37-42)49-21-9-13-25-57(49)62-58)54-33-34-55(46-17-5-4-16-45(46)54)61-52-23-11-7-18-43(52)44-19-8-12-24-53(44)61/h1-37H.
What are the key properties of N-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine?
N-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine has a molecular weight of 791.95 g/mol, XLogP of 16.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 71038542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).