2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine

C78H50N2O2 — CID 89260903

IUPAC2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine
SMILESC1=CC2Oc3c(cccc3N(c3ccc4ccccc4c3)c3ccc4c(-c5ccc6ccccc6c5)c5cc(N(c6ccc7ccccc7c6)c6cccc7c6oc6ccccc67)ccc5c(-c5ccc6ccccc6c5)c4c3)C2C=C1
InChIInChI=1S/C78H50N2O2/c1-5-19-53-43-57(33-31-49(53)15-1)75-65-41-39-62(80(60-38-36-52-18-4-8-22-56(52)46-60)72-28-14-26-68-64-24-10-12-30-74(64)82-78(68)72)48-70(65)76(58-34-32-50-16-2-6-20-54(50)44-58)66-42-40-61(47-69(66)75)79(59-37-35-51-17-3-7-21-55(51)45-59)71-27-13-25-67-63-23-9-11-29-73(63)81-77(67)71/h1-48,63,73H
InChIKeyLHHUVPXWFNPNTF-UHFFFAOYSA-N
MW1047.27 g/mol
LogP21.75
Rot. Bonds8

About 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine

2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine (PubChem CID 89260903) has the molecular formula C78H50N2O2 and a molecular weight of 1047.27 g/mol. Its IUPAC name is 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine.

Molecular Properties

Compound Name2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine
PubChem CID89260903
Molecular FormulaC78H50N2O2
Molecular Weight1047.27 g/mol
Exact Mass1046.39
IUPAC Name2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine
SMILESC1=CC2Oc3c(cccc3N(c3ccc4ccccc4c3)c3ccc4c(-c5ccc6ccccc6c5)c5cc(N(c6ccc7ccccc7c6)c6cccc7c6oc6ccccc67)ccc5c(-c5ccc6ccccc6c5)c4c3)C2C=C1
InChIInChI=1S/C78H50N2O2/c1-5-19-53-43-57(33-31-49(53)15-1)75-65-41-39-62(80(60-38-36-52-18-4-8-22-56(52)46-60)72-28-14-26-68-64-24-10-12-30-74(64)82-78(68)72)48-70(65)76(58-34-32-50-16-2-6-20-54(50)44-58)66-42-40-61(47-69(66)75)79(59-37-35-51-17-3-7-21-55(51)45-59)71-27-13-25-67-63-23-9-11-29-73(63)81-77(67)71/h1-48,63,73H
InChIKeyLHHUVPXWFNPNTF-UHFFFAOYSA-N
XLogP21.75
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.27
LogP ≤ 521.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89260922
2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 89254530
N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine
CID 174280336
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine
CID 168809708
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 169062439
21-N-(5a,9a-dihydrodibenzofuran-4-yl)-13-N-dibenzofuran-4-yl-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 167065669
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine
CID 89254464
N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 167324321
2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 89254502
11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene
CID 88994634
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495

Frequently Asked Questions

What is the IUPAC name of 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine?
The IUPAC name of 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine (CID 89260903) is 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine.
What is the SMILES notation for 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine?
The canonical SMILES for 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine is C1=CC2Oc3c(cccc3N(c3ccc4ccccc4c3)c3ccc4c(-c5ccc6ccccc6c5)c5cc(N(c6ccc7ccccc7c6)c6cccc7c6oc6ccccc67)ccc5c(-c5ccc6ccccc6c5)c4c3)C2C=C1.
What is the InChIKey of 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine?
The InChIKey is LHHUVPXWFNPNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N2O2/c1-5-19-53-43-57(33-31-49(53)15-1)75-65-41-39-62(80(60-38-36-52-18-4-8-22-56(52)46-60)72-28-14-26-68-64-24-10-12-30-74(64)82-78(68)72)48-70(65)76(58-34-32-50-16-2-6-20-54(50)44-58)66-42-40-61(47-69(66)75)79(59-37-35-51-17-3-7-21-55(51)45-59)71-27-13-25-67-63-23-9-11-29-73(63)81-77(67)71/h1-48,63,73H.
What are the key properties of 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine?
2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine has a molecular weight of 1047.27 g/mol, XLogP of 21.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine is sourced from PubChem (CID 89260903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).