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

C61H50N2 — CID 139470377

IUPAC2-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
SMILESC1=CC(N(c2ccccc2)C2CC=CC3C2c2ccccc2C32c3ccccc3-c3ccc(N(c4ccccc4)C4CC=C5c6ccccc6-c6ccccc6C5C4)cc32)=CCC1
InChIInChI=1S/C61H50N2/c1-4-19-41(20-5-1)62(44-35-37-50-48-27-11-10-25-46(48)47-26-12-13-28-49(47)54(50)39-44)45-36-38-52-51-29-14-16-31-55(51)61(58(52)40-45)56-32-17-15-30-53(56)60-57(61)33-18-34-59(60)63(42-21-6-2-7-22-42)43-23-8-3-9-24-43/h1-2,4-8,10-33,36-38,40,44,54,57,59-60H,3,9,34-35,39H2
InChIKeyAZDZFAWUGBSQEG-UHFFFAOYSA-N
MW811.09 g/mol
LogP14.93
Rot. Bonds6

About 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

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 (PubChem CID 139470377) has the molecular formula C61H50N2 and a molecular weight of 811.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID139470377
Molecular FormulaC61H50N2
Molecular Weight811.09 g/mol
Exact Mass810.40
IUPAC Name2-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
SMILESC1=CC(N(c2ccccc2)C2CC=CC3C2c2ccccc2C32c3ccccc3-c3ccc(N(c4ccccc4)C4CC=C5c6ccccc6-c6ccccc6C5C4)cc32)=CCC1
InChIInChI=1S/C61H50N2/c1-4-19-41(20-5-1)62(44-35-37-50-48-27-11-10-25-46(48)47-26-12-13-28-49(47)54(50)39-44)45-36-38-52-51-29-14-16-31-55(51)61(58(52)40-45)56-32-17-15-30-53(56)60-57(61)33-18-34-59(60)63(42-21-6-2-7-22-42)43-23-8-3-9-24-43/h1-2,4-8,10-33,36-38,40,44,54,57,59-60H,3,9,34-35,39H2
InChIKeyAZDZFAWUGBSQEG-UHFFFAOYSA-N
XLogP14.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.09
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
8-cyclohexa-1,3-dien-1-yl-5-N-cyclohexa-1,5-dien-1-yl-5-N,18-N,8-tri(cyclohexa-2,4-dien-1-yl)-18-N,21,21-triphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
CID 89104627
2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine
CID 156533410
2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine
CID 88673461
1-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-diphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]benzene-1,4-diamine
CID 71017943
9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 167297491
4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine
CID 66837995
N-cyclohexa-1,5-dien-1-yl-4-methyl-N-[4-[9-methyl-2-[4-(N-(4-phenylphenyl)anilino)phenyl]spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-3'-yl]phenyl]aniline
CID 145291274
7-N'-(2,5-dimethylcyclohex-3-en-1-yl)-2-N'-(3-methylphenyl)-2-N',7-N'-diphenylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2',7'-diamine
CID 175611283
7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine
CID 70965419
N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine
CID 146516748
N-(6-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine
CID 166864273

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC(N(c2ccccc2)C2CC=CC3C2c2ccccc2C32c3ccccc3-c3ccc(N(c4ccccc4)C4CC=C5c6ccccc6-c6ccccc6C5C4)cc32)=CCC1.
What is the InChIKey of 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?
The InChIKey is AZDZFAWUGBSQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H50N2/c1-4-19-41(20-5-1)62(44-35-37-50-48-27-11-10-25-46(48)47-26-12-13-28-49(47)54(50)39-44)45-36-38-52-51-29-14-16-31-55(51)61(58(52)40-45)56-32-17-15-30-53(56)60-57(61)33-18-34-59(60)63(42-21-6-2-7-22-42)43-23-8-3-9-24-43/h1-2,4-8,10-33,36-38,40,44,54,57,59-60H,3,9,34-35,39H2.
What are the key properties of 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?
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 has a molecular weight of 811.09 g/mol, XLogP of 14.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-(1,2,3,12b-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 is sourced from PubChem (CID 139470377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).