N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine

C67H40N2O2 — CID 138577550

IUPACN-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(N(c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)c7cccc8oc9ccccc9c78)c6c5c4)ccc32)cc1
InChIInChI=1S/C67H40N2O2/c1-2-16-43(17-3-1)68-57-26-12-7-21-49(57)51-38-41(32-36-58(51)68)42-33-37-62-52(39-42)66-60(28-15-31-64(66)71-62)69(59-27-14-30-63-65(59)50-22-8-13-29-61(50)70-63)44-34-35-48-47-20-6-11-25-55(47)67(56(48)40-44)53-23-9-4-18-45(53)46-19-5-10-24-54(46)67/h1-40H
InChIKeyYAHREXWWONNACR-UHFFFAOYSA-N
MW905.07 g/mol
LogP18.06
Rot. Bonds5

About N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine

N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine (PubChem CID 138577550) has the molecular formula C67H40N2O2 and a molecular weight of 905.07 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
PubChem CID138577550
Molecular FormulaC67H40N2O2
Molecular Weight905.07 g/mol
Exact Mass904.31
IUPAC NameN-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(N(c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)c7cccc8oc9ccccc9c78)c6c5c4)ccc32)cc1
InChIInChI=1S/C67H40N2O2/c1-2-16-43(17-3-1)68-57-26-12-7-21-49(57)51-38-41(32-36-58(51)68)42-33-37-62-52(39-42)66-60(28-15-31-64(66)71-62)69(59-27-14-30-63-65(59)50-22-8-13-29-61(50)70-63)44-34-35-48-47-20-6-11-25-55(47)67(56(48)40-44)53-23-9-4-18-45(53)46-19-5-10-24-54(46)67/h1-40H
InChIKeyYAHREXWWONNACR-UHFFFAOYSA-N
XLogP18.06
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.07
LogP ≤ 518.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 138716934
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-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane
CID 158611261
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577371
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 89426453
N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165103115
N-(9,9-diphenylfluoren-2-yl)-6-phenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 129256025
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-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-amine
CID 138484698
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-amine
CID 169060930

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine?
The IUPAC name of N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine (CID 138577550) is N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine?
The canonical SMILES for N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(N(c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)c7cccc8oc9ccccc9c78)c6c5c4)ccc32)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine?
The InChIKey is YAHREXWWONNACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40N2O2/c1-2-16-43(17-3-1)68-57-26-12-7-21-49(57)51-38-41(32-36-58(51)68)42-33-37-62-52(39-42)66-60(28-15-31-64(66)71-62)69(59-27-14-30-63-65(59)50-22-8-13-29-61(50)70-63)44-34-35-48-47-20-6-11-25-55(47)67(56(48)40-44)53-23-9-4-18-45(53)46-19-5-10-24-54(46)67/h1-40H.
What are the key properties of N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine?
N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine has a molecular weight of 905.07 g/mol, XLogP of 18.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine is sourced from PubChem (CID 138577550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).