N,N-diphenyl-7-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]spiro[1,4,4a,9a-tetrahydrofluorene-9,9'-4b,7,8,8a-tetrahydrofluorene]-4'-amine

C55H48N2 — CID 135218171

IUPACN,N-diphenyl-7-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]spiro[1,4,4a,9a-tetrahydrofluorene-9,9'-4b,7,8,8a-tetrahydrofluorene]-4'-amine
SMILESC1=CC2c3c(N(c4ccccc4)c4ccccc4)cccc3C3(c4cc(C5C=CC(N(c6ccccc6)c6ccccc6)=CC5)ccc4C4CC=CCC43)C2CC1
InChIInChI=1S/C55H48N2/c1-5-18-41(19-6-1)56(42-20-7-2-8-21-42)45-35-32-39(33-36-45)40-34-37-47-46-26-13-15-28-49(46)55(52(47)38-40)50-29-16-14-27-48(50)54-51(55)30-17-31-53(54)57(43-22-9-3-10-23-43)44-24-11-4-12-25-44/h1-15,17-25,27,30-32,34-39,46,48-50H,16,26,28-29,33H2
InChIKeyBUIFCOUYZRQQHN-UHFFFAOYSA-N
MW737.00 g/mol
LogP14.34
Rot. Bonds7

About N,N-diphenyl-7-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]spiro[1,4,4a,9a-tetrahydrofluorene-9,9'-4b,7,8,8a-tetrahydrofluorene]-4'-amine

N,N-diphenyl-7-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]spiro[1,4,4a,9a-tetrahydrofluorene-9,9'-4b,7,8,8a-tetrahydrofluorene]-4'-amine (PubChem CID 135218171) has the molecular formula C55H48N2 and a molecular weight of 737.00 g/mol. Its IUPAC name is N,N-diphenyl-7-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]spiro[1,4,4a,9a-tetrahydrofluorene-9,9'-4b,7,8,8a-tetrahydrofluorene]-4'-amine.

Molecular Properties

Compound NameN,N-diphenyl-7-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]spiro[1,4,4a,9a-tetrahydrofluorene-9,9'-4b,7,8,8a-tetrahydrofluorene]-4'-amine
PubChem CID135218171
Molecular FormulaC55H48N2
Molecular Weight737.00 g/mol
Exact Mass736.38
IUPAC NameN,N-diphenyl-7-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]spiro[1,4,4a,9a-tetrahydrofluorene-9,9'-4b,7,8,8a-tetrahydrofluorene]-4'-amine
SMILESC1=CC2c3c(N(c4ccccc4)c4ccccc4)cccc3C3(c4cc(C5C=CC(N(c6ccccc6)c6ccccc6)=CC5)ccc4C4CC=CCC43)C2CC1
InChIInChI=1S/C55H48N2/c1-5-18-41(19-6-1)56(42-20-7-2-8-21-42)45-35-32-39(33-36-45)40-34-37-47-46-26-13-15-28-49(46)55(52(47)38-40)50-29-16-14-27-48(50)54-51(55)30-17-31-53(54)57(43-22-9-3-10-23-43)44-24-11-4-12-25-44/h1-15,17-25,27,30-32,34-39,46,48-50H,16,26,28-29,33H2
InChIKeyBUIFCOUYZRQQHN-UHFFFAOYSA-N
XLogP14.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.00
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 164821085
N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline
CID 118554549
9-(1,2-dihydronaphthalen-2-yl)-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-10-naphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89190031
N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine
CID 144660759
N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 70885931
N-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-1-methyl-N-[4-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]spiro[1,2,4a,9a-tetrahydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-amine
CID 166751425
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
CID 134320783
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline
CID 155307171
N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene]-2-amine
CID 123504509
9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine
CID 138510419
9-(4-methylphenyl)-10-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N,2-N,6-N-tris(4-phenylphenyl)anthracene-2,6-diamine
CID 59766431
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 167114371

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-7-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]spiro[1,4,4a,9a-tetrahydrofluorene-9,9'-4b,7,8,8a-tetrahydrofluorene]-4'-amine?
The IUPAC name of N,N-diphenyl-7-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]spiro[1,4,4a,9a-tetrahydrofluorene-9,9'-4b,7,8,8a-tetrahydrofluorene]-4'-amine (CID 135218171) is N,N-diphenyl-7-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]spiro[1,4,4a,9a-tetrahydrofluorene-9,9'-4b,7,8,8a-tetrahydrofluorene]-4'-amine.
What is the SMILES notation for N,N-diphenyl-7-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]spiro[1,4,4a,9a-tetrahydrofluorene-9,9'-4b,7,8,8a-tetrahydrofluorene]-4'-amine?
The canonical SMILES for N,N-diphenyl-7-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]spiro[1,4,4a,9a-tetrahydrofluorene-9,9'-4b,7,8,8a-tetrahydrofluorene]-4'-amine is C1=CC2c3c(N(c4ccccc4)c4ccccc4)cccc3C3(c4cc(C5C=CC(N(c6ccccc6)c6ccccc6)=CC5)ccc4C4CC=CCC43)C2CC1.
What is the InChIKey of N,N-diphenyl-7-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]spiro[1,4,4a,9a-tetrahydrofluorene-9,9'-4b,7,8,8a-tetrahydrofluorene]-4'-amine?
The InChIKey is BUIFCOUYZRQQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H48N2/c1-5-18-41(19-6-1)56(42-20-7-2-8-21-42)45-35-32-39(33-36-45)40-34-37-47-46-26-13-15-28-49(46)55(52(47)38-40)50-29-16-14-27-48(50)54-51(55)30-17-31-53(54)57(43-22-9-3-10-23-43)44-24-11-4-12-25-44/h1-15,17-25,27,30-32,34-39,46,48-50H,16,26,28-29,33H2.
What are the key properties of N,N-diphenyl-7-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]spiro[1,4,4a,9a-tetrahydrofluorene-9,9'-4b,7,8,8a-tetrahydrofluorene]-4'-amine?
N,N-diphenyl-7-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]spiro[1,4,4a,9a-tetrahydrofluorene-9,9'-4b,7,8,8a-tetrahydrofluorene]-4'-amine has a molecular weight of 737.00 g/mol, XLogP of 14.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-7-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]spiro[1,4,4a,9a-tetrahydrofluorene-9,9'-4b,7,8,8a-tetrahydrofluorene]-4'-amine is sourced from PubChem (CID 135218171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).