2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine

C57H50N2 — CID 139470380

IUPAC2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine
SMILESC1=CC2C=CC3=C(C=C(N(c4ccccc4)C4C=CC5=C(C4)C4(C6=C5CCC=C6)c5ccccc5C5C(N(C6=CCCC=C6)c6ccccc6)=CC=CC54)CC3)C2C=C1
InChIInChI=1S/C57H50N2/c1-4-18-41(19-5-1)58(44-34-33-40-32-31-39-17-10-11-24-46(39)50(40)37-44)45-35-36-48-47-25-12-14-27-51(47)57(54(48)38-45)52-28-15-13-26-49(52)56-53(57)29-16-30-55(56)59(42-20-6-2-7-21-42)43-22-8-3-9-23-43/h1-2,4-8,10-11,13-24,26-32,35-37,39,45-46,53,56H,3,9,12,25,33-34,38H2
InChIKeyFQUXYNWUVNMGCS-UHFFFAOYSA-N
MW763.04 g/mol
LogP13.53
Rot. Bonds6

About 2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine

2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine (PubChem CID 139470380) has the molecular formula C57H50N2 and a molecular weight of 763.04 g/mol. Its IUPAC name is 2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine.

Molecular Properties

Compound Name2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine
PubChem CID139470380
Molecular FormulaC57H50N2
Molecular Weight763.04 g/mol
Exact Mass762.40
IUPAC Name2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine
SMILESC1=CC2C=CC3=C(C=C(N(c4ccccc4)C4C=CC5=C(C4)C4(C6=C5CCC=C6)c5ccccc5C5C(N(C6=CCCC=C6)c6ccccc6)=CC=CC54)CC3)C2C=C1
InChIInChI=1S/C57H50N2/c1-4-18-41(19-5-1)58(44-34-33-40-32-31-39-17-10-11-24-46(39)50(40)37-44)45-35-36-48-47-25-12-14-27-51(47)57(54(48)38-45)52-28-15-13-26-49(52)56-53(57)29-16-30-55(56)59(42-20-6-2-7-21-42)43-22-8-3-9-23-43/h1-2,4-8,10-11,13-24,26-32,35-37,39,45-46,53,56H,3,9,12,25,33-34,38H2
InChIKeyFQUXYNWUVNMGCS-UHFFFAOYSA-N
XLogP13.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.04
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine with MolForge

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Related Compounds

N-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine
CID 138583047
1-N-cyclohexa-2,4-dien-1-yl-4-N-[4-(N-cyclohexa-1,5-dien-1-yl-3-methylanilino)phenyl]-1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 140938297
2-N'-(5-methylcyclohexa-1,5-dien-1-yl)-7-N'-(3-methylphenyl)-2-N',7-N'-diphenyl-9,9'-spirobi[1,2-dihydrofluorene]-2',7'-diamine
CID 130371077
N-cyclohexa-1,5-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
CID 71051952
9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine
CID 163470569
N-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)spiro[1,2,4b,8a-tetrahydrofluorene-9,7'-4a,7a,11a,12a-tetrahydrofluoreno[4,3-b][1]benzofuran]-2-amine
CID 134556910
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
CID 67121499
N-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine
CID 138581697
N-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine
CID 166957318
10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine
CID 155484393
4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine
CID 145158036
CID 89104631
CID 89104631

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine?
The IUPAC name of 2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine (CID 139470380) is 2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine.
What is the SMILES notation for 2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine?
The canonical SMILES for 2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine is C1=CC2C=CC3=C(C=C(N(c4ccccc4)C4C=CC5=C(C4)C4(C6=C5CCC=C6)c5ccccc5C5C(N(C6=CCCC=C6)c6ccccc6)=CC=CC54)CC3)C2C=C1.
What is the InChIKey of 2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine?
The InChIKey is FQUXYNWUVNMGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H50N2/c1-4-18-41(19-5-1)58(44-34-33-40-32-31-39-17-10-11-24-46(39)50(40)37-44)45-35-36-48-47-25-12-14-27-51(47)57(54(48)38-45)52-28-15-13-26-49(52)56-53(57)29-16-30-55(56)59(42-20-6-2-7-21-42)43-22-8-3-9-23-43/h1-2,4-8,10-11,13-24,26-32,35-37,39,45-46,53,56H,3,9,12,25,33-34,38H2.
What are the key properties of 2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine?
2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine has a molecular weight of 763.04 g/mol, XLogP of 13.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine is sourced from PubChem (CID 139470380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).