2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine

C62H58N2 — CID 139470276

IUPAC2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine
SMILESCC1CC=CC(N(c2ccc3c(c2)C2(c4ccccc4-c4c(N(c5ccccc5)C5C=CCCC5)cccc42)C2C=CC=CC32)C2CC=C3C4=C(CCC=C4)c4ccccc4C3C2)C1
InChIInChI=1S/C62H58N2/c1-41-18-16-23-44(38-41)63(45-34-36-51-49-26-9-8-24-47(49)48-25-10-11-27-50(48)55(51)39-45)46-35-37-53-52-28-12-14-30-56(52)62(59(53)40-46)57-31-15-13-29-54(57)61-58(62)32-17-33-60(61)64(42-19-4-2-5-20-42)43-21-6-3-7-22-43/h2,4-6,9-17,19-21,23,25-33,35-37,40-41,43-45,52,55-56H,3,7-8,18,22,24,34,38-39H2,1H3
InChIKeyOCSAKBMNCKKYKK-UHFFFAOYSA-N
MW831.16 g/mol
LogP15.24
Rot. Bonds6

About 2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine

2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine (PubChem CID 139470276) has the molecular formula C62H58N2 and a molecular weight of 831.16 g/mol. Its IUPAC name is 2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine.

Molecular Properties

Compound Name2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine
PubChem CID139470276
Molecular FormulaC62H58N2
Molecular Weight831.16 g/mol
Exact Mass830.46
IUPAC Name2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine
SMILESCC1CC=CC(N(c2ccc3c(c2)C2(c4ccccc4-c4c(N(c5ccccc5)C5C=CCCC5)cccc42)C2C=CC=CC32)C2CC=C3C4=C(CCC=C4)c4ccccc4C3C2)C1
InChIInChI=1S/C62H58N2/c1-41-18-16-23-44(38-41)63(45-34-36-51-49-26-9-8-24-47(49)48-25-10-11-27-50(48)55(51)39-45)46-35-37-53-52-28-12-14-30-56(52)62(59(53)40-46)57-31-15-13-29-54(57)61-58(62)32-17-33-60(61)64(42-19-4-2-5-20-42)43-21-6-3-7-22-43/h2,4-6,9-17,19-21,23,25-33,35-37,40-41,43-45,52,55-56H,3,7-8,18,22,24,34,38-39H2,1H3
InChIKeyOCSAKBMNCKKYKK-UHFFFAOYSA-N
XLogP15.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.16
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine with MolForge

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Related Compounds

2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine
CID 139470459
2-N'-(1,2,3,12b-tetrahydrotriphenylen-2-yl)-4-N-cyclohexa-1,5-dien-1-yl-2-N',4-N-diphenylspiro[3,4,4a,9a-tetrahydrofluorene-9,9'-fluorene]-2',4-diamine
CID 139470377
4-N'-cyclohexa-1,5-dien-1-yl-2-N-phenyl-4-N'-(6-phenylcyclohexa-2,4-dien-1-yl)-2-N-(4-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-2,4'-diamine
CID 135218208
3-N',6-N,6-N-triphenyl-3-N'-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4'-ylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775247
9-dibenzofuran-2-yl-N-[2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)phenyl]-9-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-4b,8a-dihydrofluoren-2-amine
CID 170138429
N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine
CID 146413961
3-N',6-N,6-N-triphenyl-3-N'-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3'-ylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775478
N-(4-dibenzothiophen-4-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-diphenylfluoren-4-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 145280398
8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 170214633
N-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine
CID 166957290
1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 129300844
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine
CID 121391863

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine?
The IUPAC name of 2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine (CID 139470276) is 2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine.
What is the SMILES notation for 2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine?
The canonical SMILES for 2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine is CC1CC=CC(N(c2ccc3c(c2)C2(c4ccccc4-c4c(N(c5ccccc5)C5C=CCCC5)cccc42)C2C=CC=CC32)C2CC=C3C4=C(CCC=C4)c4ccccc4C3C2)C1.
What is the InChIKey of 2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine?
The InChIKey is OCSAKBMNCKKYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H58N2/c1-41-18-16-23-44(38-41)63(45-34-36-51-49-26-9-8-24-47(49)48-25-10-11-27-50(48)55(51)39-45)46-35-37-53-52-28-12-14-30-56(52)62(59(53)40-46)57-31-15-13-29-54(57)61-58(62)32-17-33-60(61)64(42-19-4-2-5-20-42)43-21-6-3-7-22-43/h2,4-6,9-17,19-21,23,25-33,35-37,40-41,43-45,52,55-56H,3,7-8,18,22,24,34,38-39H2,1H3.
What are the key properties of 2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine?
2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine has a molecular weight of 831.16 g/mol, XLogP of 15.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine is sourced from PubChem (CID 139470276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).