N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine

C64H42N2O — CID 121443601

IUPACN-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2cccc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4-c4ccc5oc6ccccc6c5c4)cc3)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C64H42N2O/c1-3-17-51(18-4-1)65(54-34-30-43-14-7-8-15-46(43)39-54)53-21-13-16-47(38-53)44-26-28-45(29-27-44)55-35-31-48(40-58(55)50-33-37-64-60(42-50)57-23-10-12-25-63(57)67-64)49-32-36-62-59(41-49)56-22-9-11-24-61(56)66(62)52-19-5-2-6-20-52/h1-42H
InChIKeyMSOPNOHYLVRTPI-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

About N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 121443601) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID121443601
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2cccc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4-c4ccc5oc6ccccc6c5c4)cc3)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C64H42N2O/c1-3-17-51(18-4-1)65(54-34-30-43-14-7-8-15-46(43)39-54)53-21-13-16-47(38-53)44-26-28-45(29-27-44)55-35-31-48(40-58(55)50-33-37-64-60(42-50)57-23-10-12-25-63(57)67-64)49-32-36-62-59(41-49)56-22-9-11-24-61(56)66(62)52-19-5-2-6-20-52/h1-42H
InChIKeyMSOPNOHYLVRTPI-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

3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline;bis(N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine)
CID 160545889
N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121443674
3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine)
CID 162157282
N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 58510646
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 164831591
3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535101
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
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-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118103057
N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 163536475
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 121443601) is N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is c1ccc(N(c2cccc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4-c4ccc5oc6ccccc6c5c4)cc3)c2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is MSOPNOHYLVRTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-3-17-51(18-4-1)65(54-34-30-43-14-7-8-15-46(43)39-54)53-21-13-16-47(38-53)44-26-28-45(29-27-44)55-35-31-48(40-58(55)50-33-37-64-60(42-50)57-23-10-12-25-63(57)67-64)49-32-36-62-59(41-49)56-22-9-11-24-61(56)66(62)52-19-5-2-6-20-52/h1-42H.
What are the key properties of N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-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-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 121443601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).