N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-isochromene]-2-amine

C45H31NO — CID 177077500

IUPACN,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-isochromene]-2-amine
SMILESC1=Cc2ccccc2C2(O1)c1ccccc1-c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C45H31NO/c1-3-11-32(12-4-1)34-19-23-37(24-20-34)46(38-25-21-35(22-26-38)33-13-5-2-6-14-33)39-27-28-41-40-16-8-10-18-43(40)45(44(41)31-39)42-17-9-7-15-36(42)29-30-47-45/h1-31H
InChIKeyMWSQTKSKFQJQSC-UHFFFAOYSA-N
MW601.75 g/mol
LogP11.76
Rot. Bonds5

About N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-isochromene]-2-amine

N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-isochromene]-2-amine (PubChem CID 177077500) has the molecular formula C45H31NO and a molecular weight of 601.75 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-isochromene]-2-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-isochromene]-2-amine
PubChem CID177077500
Molecular FormulaC45H31NO
Molecular Weight601.75 g/mol
Exact Mass601.24
IUPAC NameN,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-isochromene]-2-amine
SMILESC1=Cc2ccccc2C2(O1)c1ccccc1-c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C45H31NO/c1-3-11-32(12-4-1)34-19-23-37(24-20-34)46(38-25-21-35(22-26-38)33-13-5-2-6-14-33)39-27-28-41-40-16-8-10-18-43(40)45(44(41)31-39)42-17-9-7-15-36(42)29-30-47-45/h1-31H
InChIKeyMWSQTKSKFQJQSC-UHFFFAOYSA-N
XLogP11.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163608634
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
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 163436453
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline
CID 130260406
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 159921442
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-isochromene]-2-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-isochromene]-2-amine (CID 177077500) is N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-isochromene]-2-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-isochromene]-2-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-isochromene]-2-amine is C1=Cc2ccccc2C2(O1)c1ccccc1-c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc12.
What is the InChIKey of N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-isochromene]-2-amine?
The InChIKey is MWSQTKSKFQJQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31NO/c1-3-11-32(12-4-1)34-19-23-37(24-20-34)46(38-25-21-35(22-26-38)33-13-5-2-6-14-33)39-27-28-41-40-16-8-10-18-43(40)45(44(41)31-39)42-17-9-7-15-36(42)29-30-47-45/h1-31H.
What are the key properties of N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-isochromene]-2-amine?
N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-isochromene]-2-amine has a molecular weight of 601.75 g/mol, XLogP of 11.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-isochromene]-2-amine is sourced from PubChem (CID 177077500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).