4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine

C65H43N3 — CID 164838041

IUPAC4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c(N(c4ccc5ccccc5c4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)cc1
InChIInChI=1S/C65H43N3/c1-4-21-46(22-5-1)66(47-23-6-2-7-24-47)50-38-40-59-56(42-50)52-27-12-15-30-57(52)65(59)58-31-16-13-29-55(58)64-60(65)32-18-34-62(64)67(49-36-35-44-19-10-11-20-45(44)41-49)51-37-39-54-53-28-14-17-33-61(53)68(63(54)43-51)48-25-8-3-9-26-48/h1-43H
InChIKeyWXYDQKDKZKYZFT-UHFFFAOYSA-N
MW866.08 g/mol
LogP17.22
Rot. Bonds7

About 4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine

4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine (PubChem CID 164838041) has the molecular formula C65H43N3 and a molecular weight of 866.08 g/mol. Its IUPAC name is 4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine.

Molecular Properties

Compound Name4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
PubChem CID164838041
Molecular FormulaC65H43N3
Molecular Weight866.08 g/mol
Exact Mass865.35
IUPAC Name4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c(N(c4ccc5ccccc5c4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)cc1
InChIInChI=1S/C65H43N3/c1-4-21-46(22-5-1)66(47-23-6-2-7-24-47)50-38-40-59-56(42-50)52-27-12-15-30-57(52)65(59)58-31-16-13-29-55(58)64-60(65)32-18-34-62(64)67(49-36-35-44-19-10-11-20-45(44)41-49)51-37-39-54-53-28-14-17-33-61(53)68(63(54)43-51)48-25-8-3-9-26-48/h1-43H
InChIKeyWXYDQKDKZKYZFT-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

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-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 164838184
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
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
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
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
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,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838007
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998
3-N',3-N',5-N-triphenyl-5-N-(9-phenylcarbazol-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',5-diamine
CID 168774949
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164955253

Frequently Asked Questions

What is the IUPAC name of 4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine?
The IUPAC name of 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) is 4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine.
What is the SMILES notation for 4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine?
The canonical SMILES for 4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c(N(c4ccc5ccccc5c4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)cc1.
What is the InChIKey of 4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine?
The InChIKey is WXYDQKDKZKYZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N3/c1-4-21-46(22-5-1)66(47-23-6-2-7-24-47)50-38-40-59-56(42-50)52-27-12-15-30-57(52)65(59)58-31-16-13-29-55(58)64-60(65)32-18-34-62(64)67(49-36-35-44-19-10-11-20-45(44)41-49)51-37-39-54-53-28-14-17-33-61(53)68(63(54)43-51)48-25-8-3-9-26-48/h1-43H.
What are the key properties of 4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine?
4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',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 4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine is sourced from PubChem (CID 164838041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).