N-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine

C64H43N — CID 178165806

IUPACN-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C64H43N/c1-63(2)56-28-14-10-26-50(56)55-38-52(40-32-34-47-45-22-7-6-20-43(45)44-21-8-9-23-46(44)53(47)36-40)62(39-61(55)63)65(41-18-4-3-5-19-41)42-33-35-60-54(37-42)51-27-13-17-31-59(51)64(60)57-29-15-11-24-48(57)49-25-12-16-30-58(49)64/h3-39H,1-2H3
InChIKeySGWYGQUMFZAJKT-UHFFFAOYSA-N
MW826.06 g/mol
LogP16.93
Rot. Bonds4

About N-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine

N-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine (PubChem CID 178165806) has the molecular formula C64H43N and a molecular weight of 826.06 g/mol. Its IUPAC name is N-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
PubChem CID178165806
Molecular FormulaC64H43N
Molecular Weight826.06 g/mol
Exact Mass825.34
IUPAC NameN-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C64H43N/c1-63(2)56-28-14-10-26-50(56)55-38-52(40-32-34-47-45-22-7-6-20-43(45)44-21-8-9-23-46(44)53(47)36-40)62(39-61(55)63)65(41-18-4-3-5-19-41)42-33-35-60-54(37-42)51-27-13-17-31-59(51)64(60)57-29-15-11-24-48(57)49-25-12-16-30-58(49)64/h3-39H,1-2H3
InChIKeySGWYGQUMFZAJKT-UHFFFAOYSA-N
XLogP16.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.06
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-3'-[7-[10-(4-phenyl-N-(3'-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729536
N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine
CID 170445039
N-(9,9-dimethylfluoren-1-yl)-3'-(9,9-dimethylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729362
3'-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729312
2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791686
3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729929
N-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729743
N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-3-amine
CID 122493599
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 176605475
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447564
3'-phenanthren-3-yl-N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729232
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-N-phenyl-4-triphenylen-2-ylaniline
CID 167177462

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine (CID 178165806) is N-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine is CC1(C)c2ccccc2-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is SGWYGQUMFZAJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N/c1-63(2)56-28-14-10-26-50(56)55-38-52(40-32-34-47-45-22-7-6-20-43(45)44-21-8-9-23-46(44)53(47)36-40)62(39-61(55)63)65(41-18-4-3-5-19-41)42-33-35-60-54(37-42)51-27-13-17-31-59(51)64(60)57-29-15-11-24-48(57)49-25-12-16-30-58(49)64/h3-39H,1-2H3.
What are the key properties of N-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine?
N-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 826.06 g/mol, XLogP of 16.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 178165806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).