N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine

C52H33NO — CID 168810031

IUPACN-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccc6ccc7ccccc7c6c5)cc4)cccc23)cc1
InChIInChI=1S/C52H33NO/c1-2-10-34(11-3-1)46-16-8-18-48-49-19-9-17-47(52(49)54-51(46)48)37-24-27-40(28-25-37)53(41-30-31-45-39(32-41)23-22-35-12-4-6-14-43(35)45)42-29-26-38-21-20-36-13-5-7-15-44(36)50(38)33-42/h1-33H
InChIKeyRERACHZOMPNUOW-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

About N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine

N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine (PubChem CID 168810031) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine
PubChem CID168810031
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccc6ccc7ccccc7c6c5)cc4)cccc23)cc1
InChIInChI=1S/C52H33NO/c1-2-10-34(11-3-1)46-16-8-18-48-49-19-9-17-47(52(49)54-51(46)48)37-24-27-40(28-25-37)53(41-30-31-45-39(32-41)23-22-35-12-4-6-14-43(35)45)42-29-26-38-21-20-36-13-5-7-15-44(36)50(38)33-42/h1-33H
InChIKeyRERACHZOMPNUOW-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.84
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[4-(2-phenylphenyl)phenyl]chrysen-3-amine
CID 171399261
N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 158862131
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444
N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 130466814
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
CID 170272186
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 168804958
N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 130466777
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-2-amine
CID 168804810
N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805044
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 121296696
N-(4-dibenzofuran-4-ylphenyl)-N-(2,4,6-triphenylphenyl)phenanthren-2-amine
CID 137392477

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine?
The IUPAC name of N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine (CID 168810031) is N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine.
What is the SMILES notation for N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine?
The canonical SMILES for N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine is c1ccc(-c2cccc3c2oc2c(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccc6ccc7ccccc7c6c5)cc4)cccc23)cc1.
What is the InChIKey of N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine?
The InChIKey is RERACHZOMPNUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-2-10-34(11-3-1)46-16-8-18-48-49-19-9-17-47(52(49)54-51(46)48)37-24-27-40(28-25-37)53(41-30-31-45-39(32-41)23-22-35-12-4-6-14-43(35)45)42-29-26-38-21-20-36-13-5-7-15-44(36)50(38)33-42/h1-33H.
What are the key properties of N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine?
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine has a molecular weight of 687.84 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 168810031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).