[3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone

C130H82N16O2 — CID 134224318

IUPAC[3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone
SMILESO=C(c1cc(N(c2ccccc2)c2cccc3ccccc23)cc(N(c2ccccc2)c2cccc3ccccc23)c1)c1cc(N(c2ccccc2)c2cccc3ccccc23)cc(N(c2ccccc2)c2cccc3c(-c4nccc5c4c4cnccc4n5-c4cc(C(=O)c5cc(-n6c7ccncc7c7cnccc76)cc(-n6c7ccncc7c7cnccc76)c5)cc(-n5c6ccncc6c6cnccc65)c4)cccc23)c1
InChIInChI=1S/C130H82N16O2/c147-129(86-64-94(139(90-30-5-1-6-31-90)115-44-19-27-83-24-13-16-38-102(83)115)72-95(65-86)140(91-32-7-2-8-33-91)116-45-20-28-84-25-14-17-39-103(84)116)87-66-96(141(92-34-9-3-10-35-92)117-46-21-29-85-26-15-18-40-104(85)117)73-97(67-87)142(93-36-11-4-12-37-93)118-47-23-41-105-106(118)42-22-43-107(105)128-127-114-82-137-62-54-125(114)146(126(127)55-63-138-128)101-71-89(70-100(75-101)145-123-52-60-135-80-112(123)113-81-136-61-53-124(113)145)130(148)88-68-98(143-119-48-56-131-76-108(119)109-77-132-57-49-120(109)143)74-99(69-88)144-121-50-58-133-78-110(121)111-79-134-59-51-122(111)144/h1-82H
InChIKeyGVAPRYPSNPTMHE-UHFFFAOYSA-N
MW1900.20 g/mol
LogP31.86
Rot. Bonds21

About [3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone

[3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone (PubChem CID 134224318) has the molecular formula C130H82N16O2 and a molecular weight of 1900.20 g/mol. Its IUPAC name is [3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone
PubChem CID134224318
Molecular FormulaC130H82N16O2
Molecular Weight1900.20 g/mol
Exact Mass1898.68
IUPAC Name[3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone
SMILESO=C(c1cc(N(c2ccccc2)c2cccc3ccccc23)cc(N(c2ccccc2)c2cccc3ccccc23)c1)c1cc(N(c2ccccc2)c2cccc3ccccc23)cc(N(c2ccccc2)c2cccc3c(-c4nccc5c4c4cnccc4n5-c4cc(C(=O)c5cc(-n6c7ccncc7c7cnccc76)cc(-n6c7ccncc7c7cnccc76)c5)cc(-n5c6ccncc6c6cnccc65)c4)cccc23)c1
InChIInChI=1S/C130H82N16O2/c147-129(86-64-94(139(90-30-5-1-6-31-90)115-44-19-27-83-24-13-16-38-102(83)115)72-95(65-86)140(91-32-7-2-8-33-91)116-45-20-28-84-25-14-17-39-103(84)116)87-66-96(141(92-34-9-3-10-35-92)117-46-21-29-85-26-15-18-40-104(85)117)73-97(67-87)142(93-36-11-4-12-37-93)118-47-23-41-105-106(118)42-22-43-107(105)128-127-114-82-137-62-54-125(114)146(126(127)55-63-138-128)101-71-89(70-100(75-101)145-123-52-60-135-80-112(123)113-81-136-61-53-124(113)145)130(148)88-68-98(143-119-48-56-131-76-108(119)109-77-132-57-49-120(109)143)74-99(69-88)144-121-50-58-133-78-110(121)111-79-134-59-51-122(111)144/h1-82H
InChIKeyGVAPRYPSNPTMHE-UHFFFAOYSA-N
XLogP31.86
TPSA169.94 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001900.20
LogP ≤ 531.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze [3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone?
The IUPAC name of [3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone (CID 134224318) is [3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone.
What is the SMILES notation for [3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone?
The canonical SMILES for [3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone is O=C(c1cc(N(c2ccccc2)c2cccc3ccccc23)cc(N(c2ccccc2)c2cccc3ccccc23)c1)c1cc(N(c2ccccc2)c2cccc3ccccc23)cc(N(c2ccccc2)c2cccc3c(-c4nccc5c4c4cnccc4n5-c4cc(C(=O)c5cc(-n6c7ccncc7c7cnccc76)cc(-n6c7ccncc7c7cnccc76)c5)cc(-n5c6ccncc6c6cnccc65)c4)cccc23)c1.
What is the InChIKey of [3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone?
The InChIKey is GVAPRYPSNPTMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H82N16O2/c147-129(86-64-94(139(90-30-5-1-6-31-90)115-44-19-27-83-24-13-16-38-102(83)115)72-95(65-86)140(91-32-7-2-8-33-91)116-45-20-28-84-25-14-17-39-103(84)116)87-66-96(141(92-34-9-3-10-35-92)117-46-21-29-85-26-15-18-40-104(85)117)73-97(67-87)142(93-36-11-4-12-37-93)118-47-23-41-105-106(118)42-22-43-107(105)128-127-114-82-137-62-54-125(114)146(126(127)55-63-138-128)101-71-89(70-100(75-101)145-123-52-60-135-80-112(123)113-81-136-61-53-124(113)145)130(148)88-68-98(143-119-48-56-131-76-108(119)109-77-132-57-49-120(109)143)74-99(69-88)144-121-50-58-133-78-110(121)111-79-134-59-51-122(111)144/h1-82H.
What are the key properties of [3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone?
[3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone has a molecular weight of 1900.20 g/mol, XLogP of 31.86, 21 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone is sourced from PubChem (CID 134224318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).