N-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine

C56H36N2O — CID 138716934

IUPACN-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
SMILESCc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4cccc5oc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C56H36N2O/c1-35-25-27-36(28-26-35)58-50-21-10-5-16-43(50)45-33-37(30-32-51(45)58)57(52-22-12-24-54-55(52)44-17-6-11-23-53(44)59-54)38-29-31-42-41-15-4-9-20-48(41)56(49(42)34-38)46-18-7-2-13-39(46)40-14-3-8-19-47(40)56/h2-34H,1H3
InChIKeyDRCCIHARJSBUIG-UHFFFAOYSA-N
MW752.92 g/mol
LogP14.80
Rot. Bonds4

About N-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine

N-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine (PubChem CID 138716934) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
PubChem CID138716934
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
SMILESCc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4cccc5oc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C56H36N2O/c1-35-25-27-36(28-26-35)58-50-21-10-5-16-43(50)45-33-37(30-32-51(45)58)57(52-22-12-24-54-55(52)44-17-6-11-23-53(44)59-54)38-29-31-42-41-15-4-9-20-48(41)56(49(42)34-38)46-18-7-2-13-39(46)40-14-3-8-19-47(40)56/h2-34H,1H3
InChIKeyDRCCIHARJSBUIG-UHFFFAOYSA-N
XLogP14.80
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138577550
N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138577333
N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine
CID 138717147
N-dibenzofuran-1-yl-N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine
CID 165020402
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121329609
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
bis(N-dibenzofuran-1-yl-N-dibenzofuran-2-yl-9-(4-methylphenyl)carbazol-3-amine);N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine;N-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(2-phenylphenyl)carbazol-3-amine
CID 161064899
N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine
CID 138577477
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine
CID 165022817
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
N-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine
CID 164975470
N-(9,9-diphenylfluoren-2-yl)-6-phenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 129256025

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The IUPAC name of N-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine (CID 138716934) is N-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The canonical SMILES for N-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine is Cc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4cccc5oc6ccccc6c45)ccc32)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
The InChIKey is DRCCIHARJSBUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-35-25-27-36(28-26-35)58-50-21-10-5-16-43(50)45-33-37(30-32-51(45)58)57(52-22-12-24-54-55(52)44-17-6-11-23-53(44)59-54)38-29-31-42-41-15-4-9-20-48(41)56(49(42)34-38)46-18-7-2-13-39(46)40-14-3-8-19-47(40)56/h2-34H,1H3.
What are the key properties of N-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine?
N-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine has a molecular weight of 752.92 g/mol, XLogP of 14.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine is sourced from PubChem (CID 138716934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).