1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine

C65H43N3 — CID 164838184

IUPAC1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine
SMILESc1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3cccc(N(c4ccccc4)c4ccc5ccccc5c4)c32)cc1
InChIInChI=1S/C65H43N3/c1-4-22-46(23-5-1)66(50-40-41-53-52-29-14-17-35-59(52)68(62(53)43-50)48-26-8-3-9-27-48)60-36-19-34-58-63(60)55-30-13-16-33-57(55)65(58)56-32-15-12-28-51(56)54-31-18-37-61(64(54)65)67(47-24-6-2-7-25-47)49-39-38-44-20-10-11-21-45(44)42-49/h1-43H
InChIKeyOZISKJNSIJOLPC-UHFFFAOYSA-N
MW866.08 g/mol
LogP17.22
Rot. Bonds7

About 1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine

1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine (PubChem CID 164838184) has the molecular formula C65H43N3 and a molecular weight of 866.08 g/mol. Its IUPAC name is 1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine.

Molecular Properties

Compound Name1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine
PubChem CID164838184
Molecular FormulaC65H43N3
Molecular Weight866.08 g/mol
Exact Mass865.35
IUPAC Name1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine
SMILESc1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3cccc(N(c4ccccc4)c4ccc5ccccc5c4)c32)cc1
InChIInChI=1S/C65H43N3/c1-4-22-46(23-5-1)66(50-40-41-53-52-29-14-17-35-59(52)68(62(53)43-50)48-26-8-3-9-27-48)60-36-19-34-58-63(60)55-30-13-16-33-57(55)65(58)56-32-15-12-28-51(56)54-31-18-37-61(64(54)65)67(47-24-6-2-7-25-47)49-39-38-44-20-10-11-21-45(44)42-49/h1-43H
InChIKeyOZISKJNSIJOLPC-UHFFFAOYSA-N
XLogP17.22
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.08
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-naphthalen-1-yl-1-N',1-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 164838106
4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838041
2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine
CID 164838093
N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine
CID 156664793
3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838063
1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine
CID 164838059
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-1-yl)benzo[b]carbazol-3-amine
CID 145335074
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
4-N-naphthalen-1-yl-3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838081
4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838007
3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838003
3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838074

Frequently Asked Questions

What is the IUPAC name of 1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine?
The IUPAC name of 1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine (CID 164838184) is 1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine.
What is the SMILES notation for 1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine?
The canonical SMILES for 1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine is c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3cccc(N(c4ccccc4)c4ccc5ccccc5c4)c32)cc1.
What is the InChIKey of 1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine?
The InChIKey is OZISKJNSIJOLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N3/c1-4-22-46(23-5-1)66(50-40-41-53-52-29-14-17-35-59(52)68(62(53)43-50)48-26-8-3-9-27-48)60-36-19-34-58-63(60)55-30-13-16-33-57(55)65(58)56-32-15-12-28-51(56)54-31-18-37-61(64(54)65)67(47-24-6-2-7-25-47)49-39-38-44-20-10-11-21-45(44)42-49/h1-43H.
What are the key properties of 1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine?
1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine has a molecular weight of 866.08 g/mol, XLogP of 17.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine is sourced from PubChem (CID 164838184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).