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

C49H31NO — CID 177063669

IUPACN-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C49H31NO/c1-2-16-32(17-3-1)33-18-7-12-27-42(33)50(43-28-15-31-46-47(43)38-22-8-13-30-45(38)51-46)44-29-14-23-37-36-21-6-11-26-41(36)49(48(37)44)39-24-9-4-19-34(39)35-20-5-10-25-40(35)49/h1-31H
InChIKeyBQMWUJXUNNNUII-UHFFFAOYSA-N
MW649.79 g/mol
LogP13.07
Rot. Bonds4

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

N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine (PubChem CID 177063669) has the molecular formula C49H31NO and a molecular weight of 649.79 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine
PubChem CID177063669
Molecular FormulaC49H31NO
Molecular Weight649.79 g/mol
Exact Mass649.24
IUPAC NameN-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C49H31NO/c1-2-16-32(17-3-1)33-18-7-12-27-42(33)50(43-28-15-31-46-47(43)38-22-8-13-30-45(38)51-46)44-29-14-23-37-36-21-6-11-26-41(36)49(48(37)44)39-24-9-4-19-34(39)35-20-5-10-25-40(35)49/h1-31H
InChIKeyBQMWUJXUNNNUII-UHFFFAOYSA-N
XLogP13.07
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.79
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 170119694
N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788313
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 90277788
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176583162
N-dibenzofuran-1-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130465181
2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine
CID 158255217
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583375
N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069590
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 121391790
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790854
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 156664742
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 170666319

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine?
The IUPAC name of N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine (CID 177063669) is N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine is c1ccc(-c2ccccc2N(c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine?
The InChIKey is BQMWUJXUNNNUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO/c1-2-16-32(17-3-1)33-18-7-12-27-42(33)50(43-28-15-31-46-47(43)38-22-8-13-30-45(38)51-46)44-29-14-23-37-36-21-6-11-26-41(36)49(48(37)44)39-24-9-4-19-34(39)35-20-5-10-25-40(35)49/h1-31H.
What are the key properties of N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine?
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine has a molecular weight of 649.79 g/mol, XLogP of 13.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine is sourced from PubChem (CID 177063669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).