benzenecarboximidamide;N-[[4-(9,9-diphenyl-4b,5-dihydrofluoren-4-yl)phenyl]methyl]-4-phenylaniline

C51H43N3 — CID 145237235

IUPACbenzenecarboximidamide;N-[[4-(9,9-diphenyl-4b,5-dihydrofluoren-4-yl)phenyl]methyl]-4-phenylaniline
SMILESC1=CCC2C(=C1)C(c1ccccc1)(c1ccccc1)c1cccc(-c3ccc(CNc4ccc(-c5ccccc5)cc4)cc3)c12.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C44H35N.C7H8N2/c1-4-13-33(14-5-1)34-27-29-38(30-28-34)45-31-32-23-25-35(26-24-32)39-20-12-22-42-43(39)40-19-10-11-21-41(40)44(42,36-15-6-2-7-16-36)37-17-8-3-9-18-37;8-7(9)6-4-2-1-3-5-6/h1-18,20-30,40,45H,19,31H2;1-5H,(H3,8,9)
InChIKeyZSECJXPEMKYBFI-UHFFFAOYSA-N
MW697.93 g/mol
LogP11.92
Rot. Bonds8

About benzenecarboximidamide;N-[[4-(9,9-diphenyl-4b,5-dihydrofluoren-4-yl)phenyl]methyl]-4-phenylaniline

benzenecarboximidamide;N-[[4-(9,9-diphenyl-4b,5-dihydrofluoren-4-yl)phenyl]methyl]-4-phenylaniline (PubChem CID 145237235) has the molecular formula C51H43N3 and a molecular weight of 697.93 g/mol. Its IUPAC name is benzenecarboximidamide;N-[[4-(9,9-diphenyl-4b,5-dihydrofluoren-4-yl)phenyl]methyl]-4-phenylaniline.

Molecular Properties

Compound Namebenzenecarboximidamide;N-[[4-(9,9-diphenyl-4b,5-dihydrofluoren-4-yl)phenyl]methyl]-4-phenylaniline
PubChem CID145237235
Molecular FormulaC51H43N3
Molecular Weight697.93 g/mol
Exact Mass697.35
IUPAC Namebenzenecarboximidamide;N-[[4-(9,9-diphenyl-4b,5-dihydrofluoren-4-yl)phenyl]methyl]-4-phenylaniline
SMILESC1=CCC2C(=C1)C(c1ccccc1)(c1ccccc1)c1cccc(-c3ccc(CNc4ccc(-c5ccccc5)cc4)cc3)c12.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C44H35N.C7H8N2/c1-4-13-33(14-5-1)34-27-29-38(30-28-34)45-31-32-23-25-35(26-24-32)39-20-12-22-42-43(39)40-19-10-11-21-41(40)44(42,36-15-6-2-7-16-36)37-17-8-3-9-18-37;8-7(9)6-4-2-1-3-5-6/h1-18,20-30,40,45H,19,31H2;1-5H,(H3,8,9)
InChIKeyZSECJXPEMKYBFI-UHFFFAOYSA-N
XLogP11.92
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.93
LogP ≤ 511.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-Butan-2-ylphenyl)-4-(9,9-dioctyl-7-phenylfluoren-2-yl)aniline
CID 118810322
[1-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]-2-methylpropylidene]-(4-fluorophenyl)-methylazanium
CID 58738284
7-(Anilinomethyl)naphthalene-2-carboximidamide
CID 91042960
2-fluoren-9-ylidene-N-phenylspiro[3,4a-dihydroquinoline-4,9'-fluorene]-3-amine
CID 134832863
6-(4-propylphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10177892
4-[9-[4-(Ethylamino)phenyl]fluoren-9-yl]aniline
CID 18790911
4-[2-tert-butyl-9-[4-(methylamino)phenyl]fluoren-9-yl]-N-methylaniline
CID 18790912
N-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline
CID 18790916
N-methyl-4-[4-methyl-9-[4-(methylamino)phenyl]fluoren-9-yl]aniline
CID 18790920
4-[9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-methylaniline
CID 18790921
N-ethyl-4-[9-[4-(ethylamino)phenyl]fluoren-9-yl]aniline
CID 18790922
N-methyl-4-[2-methyl-9-[4-(methylamino)phenyl]fluoren-9-yl]aniline
CID 18790930

Frequently Asked Questions

What is the IUPAC name of benzenecarboximidamide;N-[[4-(9,9-diphenyl-4b,5-dihydrofluoren-4-yl)phenyl]methyl]-4-phenylaniline?
The IUPAC name of benzenecarboximidamide;N-[[4-(9,9-diphenyl-4b,5-dihydrofluoren-4-yl)phenyl]methyl]-4-phenylaniline (CID 145237235) is benzenecarboximidamide;N-[[4-(9,9-diphenyl-4b,5-dihydrofluoren-4-yl)phenyl]methyl]-4-phenylaniline.
What is the SMILES notation for benzenecarboximidamide;N-[[4-(9,9-diphenyl-4b,5-dihydrofluoren-4-yl)phenyl]methyl]-4-phenylaniline?
The canonical SMILES for benzenecarboximidamide;N-[[4-(9,9-diphenyl-4b,5-dihydrofluoren-4-yl)phenyl]methyl]-4-phenylaniline is C1=CCC2C(=C1)C(c1ccccc1)(c1ccccc1)c1cccc(-c3ccc(CNc4ccc(-c5ccccc5)cc4)cc3)c12.[H]/N=C(\N)c1ccccc1.
What is the InChIKey of benzenecarboximidamide;N-[[4-(9,9-diphenyl-4b,5-dihydrofluoren-4-yl)phenyl]methyl]-4-phenylaniline?
The InChIKey is ZSECJXPEMKYBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N.C7H8N2/c1-4-13-33(14-5-1)34-27-29-38(30-28-34)45-31-32-23-25-35(26-24-32)39-20-12-22-42-43(39)40-19-10-11-21-41(40)44(42,36-15-6-2-7-16-36)37-17-8-3-9-18-37;8-7(9)6-4-2-1-3-5-6/h1-18,20-30,40,45H,19,31H2;1-5H,(H3,8,9).
What are the key properties of benzenecarboximidamide;N-[[4-(9,9-diphenyl-4b,5-dihydrofluoren-4-yl)phenyl]methyl]-4-phenylaniline?
benzenecarboximidamide;N-[[4-(9,9-diphenyl-4b,5-dihydrofluoren-4-yl)phenyl]methyl]-4-phenylaniline has a molecular weight of 697.93 g/mol, XLogP of 11.92, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarboximidamide;N-[[4-(9,9-diphenyl-4b,5-dihydrofluoren-4-yl)phenyl]methyl]-4-phenylaniline is sourced from PubChem (CID 145237235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).