N-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine

C53H37NO — CID 170447930

IUPACN-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cc3c(cc2-c2cccc4c2CCCC4)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C53H37NO/c1-2-17-35(18-3-1)54(36-29-30-43-42-23-9-13-28-51(42)55-52(43)31-36)50-33-49-44(32-45(50)38-24-14-16-34-15-4-5-19-37(34)38)41-22-8-12-27-48(41)53(49)46-25-10-6-20-39(46)40-21-7-11-26-47(40)53/h1-3,6-14,16-18,20-33H,4-5,15,19H2
InChIKeyYVOZIDZOOLSZLC-UHFFFAOYSA-N
MW703.89 g/mol
LogP13.95
Rot. Bonds4

About N-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine

N-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine (PubChem CID 170447930) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is N-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine
PubChem CID170447930
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC NameN-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cc3c(cc2-c2cccc4c2CCCC4)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C53H37NO/c1-2-17-35(18-3-1)54(36-29-30-43-42-23-9-13-28-51(42)55-52(43)31-36)50-33-49-44(32-45(50)38-24-14-16-34-15-4-5-19-37(34)38)41-22-8-12-27-48(41)53(49)46-25-10-6-20-39(46)40-21-7-11-26-47(40)53/h1-3,6-14,16-18,20-33H,4-5,15,19H2
InChIKeyYVOZIDZOOLSZLC-UHFFFAOYSA-N
XLogP13.95
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447927
N-(4-phenanthren-9-ylphenyl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447865
N-naphthalen-2-yl-N,9,9-triphenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170447219
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170445420
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448848
N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448795
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[3,2-b][1]benzofuran-11,9'-xanthene]-1-amine
CID 162771436
3-N'-dibenzofuran-3-yl-3-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775076
2-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-7-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 171470496
2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine
CID 166960062
5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775418
N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine
CID 170447190

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine?
The IUPAC name of N-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine (CID 170447930) is N-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine.
What is the SMILES notation for N-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine?
The canonical SMILES for N-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine is c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cc3c(cc2-c2cccc4c2CCCC4)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine?
The InChIKey is YVOZIDZOOLSZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-2-17-35(18-3-1)54(36-29-30-43-42-23-9-13-28-51(42)55-52(43)31-36)50-33-49-44(32-45(50)38-24-14-16-34-15-4-5-19-37(34)38)41-22-8-12-27-48(41)53(49)46-25-10-6-20-39(46)40-21-7-11-26-47(40)53/h1-3,6-14,16-18,20-33H,4-5,15,19H2.
What are the key properties of N-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine?
N-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine has a molecular weight of 703.89 g/mol, XLogP of 13.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine is sourced from PubChem (CID 170447930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).