N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine

C59H44N2 — CID 168811896

IUPACN-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccc(C4CCCCC4)cc3-c3cccc4cccc2c34)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C59H44N2/c1-4-16-39(17-5-1)41-30-35-53-51(36-41)50-26-14-18-40-19-15-28-54(58(40)50)59(53)52-27-12-10-24-46(52)47-33-31-44(37-55(47)59)60(42-20-6-2-7-21-42)45-32-34-49-48-25-11-13-29-56(48)61(57(49)38-45)43-22-8-3-9-23-43/h2-3,6-15,18-39H,1,4-5,16-17H2
InChIKeySRDWWLDAOIAFFK-UHFFFAOYSA-N
MW781.02 g/mol
LogP15.80
Rot. Bonds5

About N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine

N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine (PubChem CID 168811896) has the molecular formula C59H44N2 and a molecular weight of 781.02 g/mol. Its IUPAC name is N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine
PubChem CID168811896
Molecular FormulaC59H44N2
Molecular Weight781.02 g/mol
Exact Mass780.35
IUPAC NameN-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccc(C4CCCCC4)cc3-c3cccc4cccc2c34)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C59H44N2/c1-4-16-39(17-5-1)41-30-35-53-51(36-41)50-26-14-18-40-19-15-28-54(58(40)50)59(53)52-27-12-10-24-46(52)47-33-31-44(37-55(47)59)60(42-20-6-2-7-21-42)45-32-34-49-48-25-11-13-29-56(48)61(57(49)38-45)43-22-8-3-9-23-43/h2-3,6-15,18-39H,1,4-5,16-17H2
InChIKeySRDWWLDAOIAFFK-UHFFFAOYSA-N
XLogP15.80
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.02
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine
CID 168812030
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-2-amine;7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 165008737
N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174291479
N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174291586
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732009
N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;N-phenyl-9-(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-phenyl-N-(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
CID 165106958
7-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 165095817
7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 164948696
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998
N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
CID 164732134
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
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 165023842

Frequently Asked Questions

What is the IUPAC name of N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine?
The IUPAC name of N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine (CID 168811896) is N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine.
What is the SMILES notation for N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine?
The canonical SMILES for N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccc(C4CCCCC4)cc3-c3cccc4cccc2c34)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine?
The InChIKey is SRDWWLDAOIAFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N2/c1-4-16-39(17-5-1)41-30-35-53-51(36-41)50-26-14-18-40-19-15-28-54(58(40)50)59(53)52-27-12-10-24-46(52)47-33-31-44(37-55(47)59)60(42-20-6-2-7-21-42)45-32-34-49-48-25-11-13-29-56(48)61(57(49)38-45)43-22-8-3-9-23-43/h2-3,6-15,18-39H,1,4-5,16-17H2.
What are the key properties of N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine?
N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine has a molecular weight of 781.02 g/mol, XLogP of 15.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 168811896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).