N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

C52H33NO2 — CID 167402059

IUPACN-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(-c3cc4c5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)oc6ccccc67)c5oc4c4ccccc34)cc2)cc1
InChIInChI=1S/C52H33NO2/c1-3-12-34(13-4-1)36-22-24-38(25-23-36)46-33-47-45-19-11-20-48(52(45)55-51(47)44-18-8-7-16-41(44)46)53(39-28-26-37(27-29-39)35-14-5-2-6-15-35)40-30-31-43-42-17-9-10-21-49(42)54-50(43)32-40/h1-33H
InChIKeyDDINQBVYZDNTMA-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 167402059) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID167402059
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(-c3cc4c5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)oc6ccccc67)c5oc4c4ccccc34)cc2)cc1
InChIInChI=1S/C52H33NO2/c1-3-12-34(13-4-1)36-22-24-38(25-23-36)46-33-47-45-19-11-20-48(52(45)55-51(47)44-18-8-7-16-41(44)46)53(39-28-26-37(27-29-39)35-14-5-2-6-15-35)40-30-31-43-42-17-9-10-21-49(42)54-50(43)32-40/h1-33H
InChIKeyDDINQBVYZDNTMA-UHFFFAOYSA-N
XLogP15.11
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.84
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144400
N-dibenzofuran-3-yl-N,5-diphenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167144409
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine
CID 167397866
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804045
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-phenyl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144324
N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167402575
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine
CID 167143711
N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzofuran-1-amine
CID 167144315
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 167144371

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (CID 167402059) is N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is c1ccc(-c2ccc(-c3cc4c5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)oc6ccccc67)c5oc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is DDINQBVYZDNTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-3-12-34(13-4-1)36-22-24-38(25-23-36)46-33-47-45-19-11-20-48(52(45)55-51(47)44-18-8-7-16-41(44)46)53(39-28-26-37(27-29-39)35-14-5-2-6-15-35)40-30-31-43-42-17-9-10-21-49(42)54-50(43)32-40/h1-33H.
What are the key properties of N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 703.84 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 167402059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).