N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine

C106H64N2O2 — CID 174271464

IUPACN-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine
SMILESc1ccc(N(c2ccc3c(ccc4ccccc43)c2)c2ccc3c(ccc4cc(-c5cccc6cc7c(cc56)oc5cccc(-c6ccccc6N(c6ccc(-c8cccc9c8ccc8ccccc89)cc6)c6ccc8c(ccc9ccccc98)c6)c57)ccc43)c2)c(-c2cccc3oc4cc5ccccc5cc4c23)c1
InChIInChI=1S/C106H64N2O2/c1-2-21-70-63-103-97(61-69(70)20-1)105-95(32-15-35-101(105)109-103)93-27-10-12-34-100(93)108(79-50-55-88-75(59-79)40-38-66-18-4-7-24-82(66)88)80-51-56-89-76(60-80)42-41-72-57-73(46-52-86(72)89)85-28-13-22-71-62-98-104(64-96(71)85)110-102-36-16-31-94(106(98)102)92-26-9-11-33-99(92)107(78-49-54-87-74(58-78)39-37-65-17-3-6-23-81(65)87)77-47-43-68(44-48-77)84-29-14-30-90-83-25-8-5-19-67(83)45-53-91(84)90/h1-64H
InChIKeyWDFBYMYQIPCMGG-UHFFFAOYSA-N
MW1397.69 g/mol
LogP30.62
Rot. Bonds10

About N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine

N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine (PubChem CID 174271464) has the molecular formula C106H64N2O2 and a molecular weight of 1397.69 g/mol. Its IUPAC name is N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine.

Molecular Properties

Compound NameN-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine
PubChem CID174271464
Molecular FormulaC106H64N2O2
Molecular Weight1397.69 g/mol
Exact Mass1396.50
IUPAC NameN-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine
SMILESc1ccc(N(c2ccc3c(ccc4ccccc43)c2)c2ccc3c(ccc4cc(-c5cccc6cc7c(cc56)oc5cccc(-c6ccccc6N(c6ccc(-c8cccc9c8ccc8ccccc89)cc6)c6ccc8c(ccc9ccccc98)c6)c57)ccc43)c2)c(-c2cccc3oc4cc5ccccc5cc4c23)c1
InChIInChI=1S/C106H64N2O2/c1-2-21-70-63-103-97(61-69(70)20-1)105-95(32-15-35-101(105)109-103)93-27-10-12-34-100(93)108(79-50-55-88-75(59-79)40-38-66-18-4-7-24-82(66)88)80-51-56-89-76(60-80)42-41-72-57-73(46-52-86(72)89)85-28-13-22-71-62-98-104(64-96(71)85)110-102-36-16-31-94(106(98)102)92-26-9-11-33-99(92)107(78-49-54-87-74(58-78)39-37-65-17-3-6-23-81(65)87)77-47-43-68(44-48-77)84-29-14-30-90-83-25-8-5-19-67(83)45-53-91(84)90/h1-64H
InChIKeyWDFBYMYQIPCMGG-UHFFFAOYSA-N
XLogP30.62
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001397.69
LogP ≤ 530.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-2-naphthalen-2-yl-N-[4-(4-phenanthren-1-ylphenyl)phenyl]aniline
CID 176810230
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenanthren-2-ylaniline
CID 170541993
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)dibenzofuran-2-amine
CID 174278954
N-(4-dibenzofuran-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810603
N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline
CID 176810481
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810686
N-(4-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-phenanthren-2-ylaniline
CID 176810690
N-(4-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810397
N-(4-naphthalen-2-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenylphenyl)aniline
CID 174271399
5-naphtho[2,1-b][1]benzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 170127453
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325355
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170137601

Frequently Asked Questions

What is the IUPAC name of N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine?
The IUPAC name of N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine (CID 174271464) is N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine.
What is the SMILES notation for N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine?
The canonical SMILES for N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine is c1ccc(N(c2ccc3c(ccc4ccccc43)c2)c2ccc3c(ccc4cc(-c5cccc6cc7c(cc56)oc5cccc(-c6ccccc6N(c6ccc(-c8cccc9c8ccc8ccccc89)cc6)c6ccc8c(ccc9ccccc98)c6)c57)ccc43)c2)c(-c2cccc3oc4cc5ccccc5cc4c23)c1.
What is the InChIKey of N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine?
The InChIKey is WDFBYMYQIPCMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H64N2O2/c1-2-21-70-63-103-97(61-69(70)20-1)105-95(32-15-35-101(105)109-103)93-27-10-12-34-100(93)108(79-50-55-88-75(59-79)40-38-66-18-4-7-24-82(66)88)80-51-56-89-76(60-80)42-41-72-57-73(46-52-86(72)89)85-28-13-22-71-62-98-104(64-96(71)85)110-102-36-16-31-94(106(98)102)92-26-9-11-33-99(92)107(78-49-54-87-74(58-78)39-37-65-17-3-6-23-81(65)87)77-47-43-68(44-48-77)84-29-14-30-90-83-25-8-5-19-67(83)45-53-91(84)90/h1-64H.
What are the key properties of N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine?
N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine has a molecular weight of 1397.69 g/mol, XLogP of 30.62, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine is sourced from PubChem (CID 174271464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).