N-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine

C68H44N4 — CID 121422425

IUPACN-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c45)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C68H44N4/c1-4-19-45(20-5-1)50-27-16-28-52(43-50)72(53-41-42-63-59(44-53)57-31-12-15-36-62(57)68(63)60-34-13-10-29-55(60)56-30-11-14-35-61(56)68)51-39-37-46(38-40-51)54-32-17-25-47-26-18-33-58(64(47)54)67-70-65(48-21-6-2-7-22-48)69-66(71-67)49-23-8-3-9-24-49/h1-44H
InChIKeyXRBCBMDORIPAAU-UHFFFAOYSA-N
MW917.13 g/mol
LogP17.17
Rot. Bonds8

About N-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine

N-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine (PubChem CID 121422425) has the molecular formula C68H44N4 and a molecular weight of 917.13 g/mol. Its IUPAC name is N-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
PubChem CID121422425
Molecular FormulaC68H44N4
Molecular Weight917.13 g/mol
Exact Mass916.36
IUPAC NameN-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c45)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C68H44N4/c1-4-19-45(20-5-1)50-27-16-28-52(43-50)72(53-41-42-63-59(44-53)57-31-12-15-36-62(57)68(63)60-34-13-10-29-55(60)56-30-11-14-35-61(56)68)51-39-37-46(38-40-51)54-32-17-25-47-26-18-33-58(64(47)54)67-70-65(48-21-6-2-7-22-48)69-66(71-67)49-23-8-3-9-24-49/h1-44H
InChIKeyXRBCBMDORIPAAU-UHFFFAOYSA-N
XLogP17.17
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.13
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine with MolForge

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Related Compounds

3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 121340784
N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750058
N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;ethane
CID 144768224
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 88886994
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline
CID 129259026
7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58233363
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663853
N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 170116741

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine (CID 121422425) is N-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine is c1ccc(-c2cccc(N(c3ccc(-c4cccc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c45)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of N-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is XRBCBMDORIPAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N4/c1-4-19-45(20-5-1)50-27-16-28-52(43-50)72(53-41-42-63-59(44-53)57-31-12-15-36-62(57)68(63)60-34-13-10-29-55(60)56-30-11-14-35-61(56)68)51-39-37-46(38-40-51)54-32-17-25-47-26-18-33-58(64(47)54)67-70-65(48-21-6-2-7-22-48)69-66(71-67)49-23-8-3-9-24-49/h1-44H.
What are the key properties of N-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
N-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 917.13 g/mol, XLogP of 17.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 121422425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).