N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine

C54H33NO2 — CID 168804479

IUPACN-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc6ccc7ccccc7c6c5)c5cc6ccccc6c6oc7ccccc7c56)cc4)cc23)cc1
InChIInChI=1S/C54H33NO2/c1-2-11-35(12-3-1)43-18-10-19-45-48-31-38(26-30-51(48)56-53(43)45)34-23-27-40(28-24-34)55(41-29-25-37-22-21-36-13-4-6-15-42(36)47(37)33-41)49-32-39-14-5-7-16-44(39)54-52(49)46-17-8-9-20-50(46)57-54/h1-33H
InChIKeyPKZMDNYAVCPYRY-UHFFFAOYSA-N
MW727.86 g/mol
LogP15.75
Rot. Bonds5

About N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine

N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine (PubChem CID 168804479) has the molecular formula C54H33NO2 and a molecular weight of 727.86 g/mol. Its IUPAC name is N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine.

Molecular Properties

Compound NameN-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine
PubChem CID168804479
Molecular FormulaC54H33NO2
Molecular Weight727.86 g/mol
Exact Mass727.25
IUPAC NameN-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc6ccc7ccccc7c6c5)c5cc6ccccc6c6oc7ccccc7c56)cc4)cc23)cc1
InChIInChI=1S/C54H33NO2/c1-2-11-35(12-3-1)43-18-10-19-45-48-31-38(26-30-51(48)56-53(43)45)34-23-27-40(28-24-34)55(41-29-25-37-22-21-36-13-4-6-15-42(36)47(37)33-41)49-32-39-14-5-7-16-44(39)54-52(49)46-17-8-9-20-50(46)57-54/h1-33H
InChIKeyPKZMDNYAVCPYRY-UHFFFAOYSA-N
XLogP15.75
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.86
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821403
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805062
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444
4-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804844
N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805044
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821320
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396678
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 168804958
N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine
CID 176821213
N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 176820694
N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine
CID 168804799
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-2-amine
CID 168804810

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine?
The IUPAC name of N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine (CID 168804479) is N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine.
What is the SMILES notation for N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine?
The canonical SMILES for N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine is c1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc6ccc7ccccc7c6c5)c5cc6ccccc6c6oc7ccccc7c56)cc4)cc23)cc1.
What is the InChIKey of N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine?
The InChIKey is PKZMDNYAVCPYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO2/c1-2-11-35(12-3-1)43-18-10-19-45-48-31-38(26-30-51(48)56-53(43)45)34-23-27-40(28-24-34)55(41-29-25-37-22-21-36-13-4-6-15-42(36)47(37)33-41)49-32-39-14-5-7-16-44(39)54-52(49)46-17-8-9-20-50(46)57-54/h1-33H.
What are the key properties of N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine?
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine has a molecular weight of 727.86 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine is sourced from PubChem (CID 168804479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).