N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine

C52H33NO — CID 139297893

IUPACN-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc1-c1ccccc1-2
InChIInChI=1S/C52H33NO/c1-2-12-36-31-37(22-21-34(36)11-1)35-23-25-38(26-24-35)53(40-28-30-49-48-19-9-10-20-51(48)54-52(49)33-40)39-27-29-47-45-17-6-5-15-43(45)41-13-3-4-14-42(41)44-16-7-8-18-46(44)50(47)32-39/h1-33H/b43-41-,44-42-,47-45-,50-46-
InChIKeyNQGNYROLBUPSRA-MMUUBDRASA-N
MW687.84 g/mol
LogP14.86
Rot. Bonds4

About N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine

N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine (PubChem CID 139297893) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine
PubChem CID139297893
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc1-c1ccccc1-2
InChIInChI=1S/C52H33NO/c1-2-12-36-31-37(22-21-34(36)11-1)35-23-25-38(26-24-35)53(40-28-30-49-48-19-9-10-20-51(48)54-52(49)33-40)39-27-29-47-45-17-6-5-15-43(45)41-13-3-4-14-42(41)44-16-7-8-18-46(44)50(47)32-39/h1-33H/b43-41-,44-42-,47-45-,50-46-
InChIKeyNQGNYROLBUPSRA-MMUUBDRASA-N
XLogP14.86
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.84
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177097176
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177113965
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 166566331
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325355
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine (CID 139297893) is N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine is c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc1-c1ccccc1-2.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine?
The InChIKey is NQGNYROLBUPSRA-MMUUBDRASA-N. The full InChI is InChI=1S/C52H33NO/c1-2-12-36-31-37(22-21-34(36)11-1)35-23-25-38(26-24-35)53(40-28-30-49-48-19-9-10-20-51(48)54-52(49)33-40)39-27-29-47-45-17-6-5-15-43(45)41-13-3-4-14-42(41)44-16-7-8-18-46(44)50(47)32-39/h1-33H/b43-41-,44-42-,47-45-,50-46-.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine?
N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine has a molecular weight of 687.84 g/mol, XLogP of 14.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine is sourced from PubChem (CID 139297893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).