N-[2-naphthalen-1-yl-6-[7-[4-(N-(2-naphthalen-1-ylphenyl)-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-3-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-3-amine

C102H64N2OS — CID 167285089

IUPACN-[2-naphthalen-1-yl-6-[7-[4-(N-(2-naphthalen-1-ylphenyl)-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-3-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-3-amine
SMILESc1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2ccc(-c3ccc4c(c3)oc3cc(-c5cccc(-c6cccc7ccccc67)c5N(c5cccc(-c6cc7ccccc7c7ccccc67)c5)c5ccc6c(c5)sc5ccccc56)ccc34)cc2)c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C102H64N2OS/c1-5-32-78-66(22-1)26-19-43-85(78)89-40-13-15-46-97(89)103(75-30-17-28-69(58-75)95-60-71-24-3-7-34-80(71)83-36-9-11-38-87(83)95)74-52-48-65(49-53-74)68-50-55-90-91-56-51-73(63-99(91)105-98(90)62-68)82-42-21-45-94(86-44-20-27-67-23-2-6-33-79(67)86)102(82)104(77-54-57-93-92-41-14-16-47-100(92)106-101(93)64-77)76-31-18-29-70(59-76)96-61-72-25-4-8-35-81(72)84-37-10-12-39-88(84)96/h1-64H
InChIKeyXHKQRDHVXOJMCB-UHFFFAOYSA-N
MW1365.71 g/mol
LogP29.81
Rot. Bonds12

About N-[2-naphthalen-1-yl-6-[7-[4-(N-(2-naphthalen-1-ylphenyl)-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-3-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-3-amine

N-[2-naphthalen-1-yl-6-[7-[4-(N-(2-naphthalen-1-ylphenyl)-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-3-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-3-amine (PubChem CID 167285089) has the molecular formula C102H64N2OS and a molecular weight of 1365.71 g/mol. Its IUPAC name is N-[2-naphthalen-1-yl-6-[7-[4-(N-(2-naphthalen-1-ylphenyl)-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-3-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[2-naphthalen-1-yl-6-[7-[4-(N-(2-naphthalen-1-ylphenyl)-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-3-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-3-amine
PubChem CID167285089
Molecular FormulaC102H64N2OS
Molecular Weight1365.71 g/mol
Exact Mass1364.47
IUPAC NameN-[2-naphthalen-1-yl-6-[7-[4-(N-(2-naphthalen-1-ylphenyl)-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-3-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-3-amine
SMILESc1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2ccc(-c3ccc4c(c3)oc3cc(-c5cccc(-c6cccc7ccccc67)c5N(c5cccc(-c6cc7ccccc7c7ccccc67)c5)c5ccc6c(c5)sc5ccccc56)ccc34)cc2)c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C102H64N2OS/c1-5-32-78-66(22-1)26-19-43-85(78)89-40-13-15-46-97(89)103(75-30-17-28-69(58-75)95-60-71-24-3-7-34-80(71)83-36-9-11-38-87(83)95)74-52-48-65(49-53-74)68-50-55-90-91-56-51-73(63-99(91)105-98(90)62-68)82-42-21-45-94(86-44-20-27-67-23-2-6-33-79(67)86)102(82)104(77-54-57-93-92-41-14-16-47-100(92)106-101(93)64-77)76-31-18-29-70(59-76)96-61-72-25-4-8-35-81(72)84-37-10-12-39-88(84)96/h1-64H
InChIKeyXHKQRDHVXOJMCB-UHFFFAOYSA-N
XLogP29.81
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001365.71
LogP ≤ 529.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767527
N-(2-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167326441
N-(2-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326184
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168766637
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326325
N-(4-dibenzofuran-3-ylphenyl)-2-dibenzothiophen-3-yl-N-(3-naphthalen-2-ylphenyl)aniline
CID 167326309
2-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326227
2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325670
2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326186
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 149256598
N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168766712
N-(4-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158074871

Frequently Asked Questions

What is the IUPAC name of N-[2-naphthalen-1-yl-6-[7-[4-(N-(2-naphthalen-1-ylphenyl)-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-3-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-[2-naphthalen-1-yl-6-[7-[4-(N-(2-naphthalen-1-ylphenyl)-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-3-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-3-amine (CID 167285089) is N-[2-naphthalen-1-yl-6-[7-[4-(N-(2-naphthalen-1-ylphenyl)-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-3-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-[2-naphthalen-1-yl-6-[7-[4-(N-(2-naphthalen-1-ylphenyl)-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-3-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-[2-naphthalen-1-yl-6-[7-[4-(N-(2-naphthalen-1-ylphenyl)-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-3-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-3-amine is c1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2ccc(-c3ccc4c(c3)oc3cc(-c5cccc(-c6cccc7ccccc67)c5N(c5cccc(-c6cc7ccccc7c7ccccc67)c5)c5ccc6c(c5)sc5ccccc56)ccc34)cc2)c2ccccc2-c2cccc3ccccc23)c1.
What is the InChIKey of N-[2-naphthalen-1-yl-6-[7-[4-(N-(2-naphthalen-1-ylphenyl)-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-3-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-3-amine?
The InChIKey is XHKQRDHVXOJMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H64N2OS/c1-5-32-78-66(22-1)26-19-43-85(78)89-40-13-15-46-97(89)103(75-30-17-28-69(58-75)95-60-71-24-3-7-34-80(71)83-36-9-11-38-87(83)95)74-52-48-65(49-53-74)68-50-55-90-91-56-51-73(63-99(91)105-98(90)62-68)82-42-21-45-94(86-44-20-27-67-23-2-6-33-79(67)86)102(82)104(77-54-57-93-92-41-14-16-47-100(92)106-101(93)64-77)76-31-18-29-70(59-76)96-61-72-25-4-8-35-81(72)84-37-10-12-39-88(84)96/h1-64H.
What are the key properties of N-[2-naphthalen-1-yl-6-[7-[4-(N-(2-naphthalen-1-ylphenyl)-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-3-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-3-amine?
N-[2-naphthalen-1-yl-6-[7-[4-(N-(2-naphthalen-1-ylphenyl)-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-3-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-3-amine has a molecular weight of 1365.71 g/mol, XLogP of 29.81, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-naphthalen-1-yl-6-[7-[4-(N-(2-naphthalen-1-ylphenyl)-3-phenanthren-9-ylanilino)phenyl]dibenzofuran-3-yl]phenyl]-N-(3-phenanthren-9-ylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 167285089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).