N-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline

C101H68N2O2 — CID 162132679

IUPACN-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
SMILESCc1cccc2c1ccc1cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)ccc12.c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C51H35NO.C50H33NO/c1-34-9-7-14-47-44(34)31-25-40-33-43(30-32-45(40)47)52(41-26-21-38(22-27-41)37-19-17-36(18-20-37)35-10-3-2-4-11-35)42-28-23-39(24-29-42)46-13-8-15-49-48-12-5-6-16-50(48)53-51(46)49;1-2-10-34(11-3-1)38-13-8-14-43(33-38)51(42-29-24-37(25-30-42)46-17-9-18-48-47-16-6-7-19-49(47)52-50(46)48)41-27-22-35(23-28-41)39-26-31-45-40(32-39)21-20-36-12-4-5-15-44(36)45/h2-33H,1H3;1-33H
InChIKeyZIWGLBKFZSKQIZ-UHFFFAOYSA-N
MW1341.67 g/mol
LogP29.03
Rot. Bonds12

About N-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline

N-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline (PubChem CID 162132679) has the molecular formula C101H68N2O2 and a molecular weight of 1341.67 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
PubChem CID162132679
Molecular FormulaC101H68N2O2
Molecular Weight1341.67 g/mol
Exact Mass1340.53
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
SMILESCc1cccc2c1ccc1cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)ccc12.c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C51H35NO.C50H33NO/c1-34-9-7-14-47-44(34)31-25-40-33-43(30-32-45(40)47)52(41-26-21-38(22-27-41)37-19-17-36(18-20-37)35-10-3-2-4-11-35)42-28-23-39(24-29-42)46-13-8-15-49-48-12-5-6-16-50(48)53-51(46)49;1-2-10-34(11-3-1)38-13-8-14-43(33-38)51(42-29-24-37(25-30-42)46-17-9-18-48-47-16-6-7-19-49(47)52-50(46)48)41-27-22-35(23-28-41)39-26-31-45-40(32-39)21-20-36-12-4-5-15-44(36)45/h2-33H,1H3;1-33H
InChIKeyZIWGLBKFZSKQIZ-UHFFFAOYSA-N
XLogP29.03
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001341.67
LogP ≤ 529.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 168804958
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline
CID 142614641
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-phenylaniline
CID 167329469
N-[4-(5-methylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-3-amine
CID 170289379
3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline
CID 170941914
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167358323
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine
CID 171399261
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-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline (CID 162132679) is N-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline is Cc1cccc2c1ccc1cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)ccc12.c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline?
The InChIKey is ZIWGLBKFZSKQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO.C50H33NO/c1-34-9-7-14-47-44(34)31-25-40-33-43(30-32-45(40)47)52(41-26-21-38(22-27-41)37-19-17-36(18-20-37)35-10-3-2-4-11-35)42-28-23-39(24-29-42)46-13-8-15-49-48-12-5-6-16-50(48)53-51(46)49;1-2-10-34(11-3-1)38-13-8-14-43(33-38)51(42-29-24-37(25-30-42)46-17-9-18-48-47-16-6-7-19-49(47)52-50(46)48)41-27-22-35(23-28-41)39-26-31-45-40(32-39)21-20-36-12-4-5-15-44(36)45/h2-33H,1H3;1-33H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline?
N-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline has a molecular weight of 1341.67 g/mol, XLogP of 29.03, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline is sourced from PubChem (CID 162132679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).