N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine

C49H33N — CID 155114306

IUPACN-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2-c2ccccc2)cc1
InChIInChI=1S/C49H33N/c1-4-16-34(17-5-1)39-30-28-37(32-44(39)35-18-6-2-7-19-35)50(36-20-8-3-9-21-36)38-29-31-43-42-24-12-15-27-47(42)49(48(43)33-38)45-25-13-10-22-40(45)41-23-11-14-26-46(41)49/h1-33H
InChIKeyGMHBBVSWYYGENX-UHFFFAOYSA-N
MW635.81 g/mol
LogP12.83
Rot. Bonds5

About N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine

N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 155114306) has the molecular formula C49H33N and a molecular weight of 635.81 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
PubChem CID155114306
Molecular FormulaC49H33N
Molecular Weight635.81 g/mol
Exact Mass635.26
IUPAC NameN-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2-c2ccccc2)cc1
InChIInChI=1S/C49H33N/c1-4-16-34(17-5-1)39-30-28-37(32-44(39)35-18-6-2-7-19-35)50(36-20-8-3-9-21-36)38-29-31-43-42-24-12-15-27-47(42)49(48(43)33-38)45-25-13-10-22-40(45)41-23-11-14-26-46(41)49/h1-33H
InChIKeyGMHBBVSWYYGENX-UHFFFAOYSA-N
XLogP12.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.81
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134194372
N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121477535
2-N-(3,4-diphenylphenyl)-1-N,1-N-diphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,2-diamine
CID 139322157
2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 156578662
N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139352546
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;1'-phenyl-9,9'-spirobi[fluorene]
CID 160786762
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 137469859
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine (CID 155114306) is N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is GMHBBVSWYYGENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N/c1-4-16-34(17-5-1)39-30-28-37(32-44(39)35-18-6-2-7-19-35)50(36-20-8-3-9-21-36)38-29-31-43-42-24-12-15-27-47(42)49(48(43)33-38)45-25-13-10-22-40(45)41-23-11-14-26-46(41)49/h1-33H.
What are the key properties of N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 635.81 g/mol, XLogP of 12.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 155114306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).