N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine

C61H38N2 — CID 164732134

IUPACN,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4ccccc4c3)c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c3)cc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C61H38N2/c1-3-15-42-35-44(29-27-39(42)13-1)62(47-32-34-52-51-21-7-10-26-58(51)63(59(52)38-47)45-30-28-40-14-2-4-16-43(40)36-45)46-31-33-50-48-19-5-8-23-54(48)61(57(50)37-46)55-24-9-6-20-49(55)53-22-11-17-41-18-12-25-56(61)60(41)53/h1-38H
InChIKeyUFRLYVIINADWEQ-UHFFFAOYSA-N
MW798.99 g/mol
LogP16.06
Rot. Bonds4

About N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine

N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine (PubChem CID 164732134) has the molecular formula C61H38N2 and a molecular weight of 798.99 g/mol. Its IUPAC name is N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine.

Molecular Properties

Compound NameN,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
PubChem CID164732134
Molecular FormulaC61H38N2
Molecular Weight798.99 g/mol
Exact Mass798.30
IUPAC NameN,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4ccccc4c3)c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c3)cc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C61H38N2/c1-3-15-42-35-44(29-27-39(42)13-1)62(47-32-34-52-51-21-7-10-26-58(51)63(59(52)38-47)45-30-28-40-14-2-4-16-43(40)36-45)46-31-33-50-48-19-5-8-23-54(48)61(57(50)37-46)55-24-9-6-20-49(55)53-22-11-17-41-18-12-25-56(61)60(41)53/h1-38H
InChIKeyUFRLYVIINADWEQ-UHFFFAOYSA-N
XLogP16.06
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.99
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164794089
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732111
N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine
CID 168812030
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazol-3-amine
CID 145335035
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732009
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-naphthalen-2-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 159187067
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 129085062
N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine
CID 159843414
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 158340092
N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(4-phenylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 160921499

Frequently Asked Questions

What is the IUPAC name of N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine?
The IUPAC name of N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine (CID 164732134) is N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine.
What is the SMILES notation for N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine?
The canonical SMILES for N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine is c1ccc2c(c1)-c1ccc(N(c3ccc4ccccc4c3)c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c3)cc1C21c2ccccc2-c2cccc3cccc1c23.
What is the InChIKey of N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine?
The InChIKey is UFRLYVIINADWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2/c1-3-15-42-35-44(29-27-39(42)13-1)62(47-32-34-52-51-21-7-10-26-58(51)63(59(52)38-47)45-30-28-40-14-2-4-16-43(40)36-45)46-31-33-50-48-19-5-8-23-54(48)61(57(50)37-46)55-24-9-6-20-49(55)53-22-11-17-41-18-12-25-56(61)60(41)53/h1-38H.
What are the key properties of N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine?
N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine has a molecular weight of 798.99 g/mol, XLogP of 16.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine is sourced from PubChem (CID 164732134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).