2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine

C96H64N4O2 — CID 135270805

IUPAC2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5cc(-c6ccc7cc(N(c8ccccc8)c8ccc9c(c8)Oc8ccc(N(c%10ccccc%10)c%10cc%11ccccc%11c%11ccccc%10%11)cc8O9)c8ccccc8c7c6)ccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C96H64N4O2/c1-5-27-73(28-6-1)97(89-41-21-25-67-23-13-16-36-82(67)89)77-50-45-65(46-51-77)66-47-52-78(53-48-66)98(74-29-7-2-8-30-74)90-42-22-26-70-59-68(49-56-83(70)90)69-43-44-72-62-92(87-40-20-18-38-85(87)88(72)60-69)100(76-33-11-4-12-34-76)80-55-58-94-96(64-80)102-93-57-54-79(63-95(93)101-94)99(75-31-9-3-10-32-75)91-61-71-24-14-15-35-81(71)84-37-17-19-39-86(84)91/h1-64H
InChIKeyPQULTROANUOSPH-UHFFFAOYSA-N
MW1305.59 g/mol
LogP27.72
Rot. Bonds14

About 2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine

2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine (PubChem CID 135270805) has the molecular formula C96H64N4O2 and a molecular weight of 1305.59 g/mol. Its IUPAC name is 2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine.

Molecular Properties

Compound Name2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine
PubChem CID135270805
Molecular FormulaC96H64N4O2
Molecular Weight1305.59 g/mol
Exact Mass1304.50
IUPAC Name2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5cc(-c6ccc7cc(N(c8ccccc8)c8ccc9c(c8)Oc8ccc(N(c%10ccccc%10)c%10cc%11ccccc%11c%11ccccc%10%11)cc8O9)c8ccccc8c7c6)ccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C96H64N4O2/c1-5-27-73(28-6-1)97(89-41-21-25-67-23-13-16-36-82(67)89)77-50-45-65(46-51-77)66-47-52-78(53-48-66)98(74-29-7-2-8-30-74)90-42-22-26-70-59-68(49-56-83(70)90)69-43-44-72-62-92(87-40-20-18-38-85(87)88(72)60-69)100(76-33-11-4-12-34-76)80-55-58-94-96(64-80)102-93-57-54-79(63-95(93)101-94)99(75-31-9-3-10-32-75)91-61-71-24-14-15-35-81(71)84-37-17-19-39-86(84)91/h1-64H
InChIKeyPQULTROANUOSPH-UHFFFAOYSA-N
XLogP27.72
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001305.59
LogP ≤ 527.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine with MolForge

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Related Compounds

3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170141642
7-[4-(N-naphthalen-1-ylanilino)phenyl]-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 59754893
N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]phenanthren-2-yl]aniline;N,4-diphenyl-N-[4-[7-[4-(N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline;N-naphthalen-1-yl-7-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-N-phenylphenanthren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline
CID 162152216
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine
CID 160725263
2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine
CID 58807472
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine
CID 169064330
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486
2-N-naphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-phenylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N,7-N-diphenylphenanthrene-2,7-diamine
CID 59754883
N-(4-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 156577401
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754864
2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754912

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine?
The IUPAC name of 2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine (CID 135270805) is 2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine.
What is the SMILES notation for 2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine?
The canonical SMILES for 2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5cc(-c6ccc7cc(N(c8ccccc8)c8ccc9c(c8)Oc8ccc(N(c%10ccccc%10)c%10cc%11ccccc%11c%11ccccc%10%11)cc8O9)c8ccccc8c7c6)ccc45)cc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine?
The InChIKey is PQULTROANUOSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H64N4O2/c1-5-27-73(28-6-1)97(89-41-21-25-67-23-13-16-36-82(67)89)77-50-45-65(46-51-77)66-47-52-78(53-48-66)98(74-29-7-2-8-30-74)90-42-22-26-70-59-68(49-56-83(70)90)69-43-44-72-62-92(87-40-20-18-38-85(87)88(72)60-69)100(76-33-11-4-12-34-76)80-55-58-94-96(64-80)102-93-57-54-79(63-95(93)101-94)99(75-31-9-3-10-32-75)91-61-71-24-14-15-35-81(71)84-37-17-19-39-86(84)91/h1-64H.
What are the key properties of 2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine?
2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine has a molecular weight of 1305.59 g/mol, XLogP of 27.72, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine is sourced from PubChem (CID 135270805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).