N'-[(Z)-1-[4-(9,9-diphenylfluoren-1-yl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)prop-1-enyl]benzenecarboximidamide

C63H46N2 — CID 176835261

IUPACN'-[(Z)-1-[4-(9,9-diphenylfluoren-1-yl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)prop-1-enyl]benzenecarboximidamide
SMILESN/C(=N\C(=C/Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccc(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc12)c1ccccc1
InChIInChI=1S/C63H46N2/c64-62(47-25-10-3-11-26-47)65-60(40-37-44-41-48(45-21-6-1-7-22-45)43-49(42-44)46-23-8-2-9-24-46)56-39-38-54(52-31-16-17-32-53(52)56)57-34-20-35-58-55-33-18-19-36-59(55)63(61(57)58,50-27-12-4-13-28-50)51-29-14-5-15-30-51/h1-36,38-43H,37H2,(H2,64,65)/b60-40-
InChIKeyBLHQMHPRVOJXPY-GTRVILLYSA-N
MW831.08 g/mol
LogP15.19
Rot. Bonds10

About N'-[(Z)-1-[4-(9,9-diphenylfluoren-1-yl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)prop-1-enyl]benzenecarboximidamide

N'-[(Z)-1-[4-(9,9-diphenylfluoren-1-yl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)prop-1-enyl]benzenecarboximidamide (PubChem CID 176835261) has the molecular formula C63H46N2 and a molecular weight of 831.08 g/mol. Its IUPAC name is N'-[(Z)-1-[4-(9,9-diphenylfluoren-1-yl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)prop-1-enyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-1-[4-(9,9-diphenylfluoren-1-yl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)prop-1-enyl]benzenecarboximidamide
PubChem CID176835261
Molecular FormulaC63H46N2
Molecular Weight831.08 g/mol
Exact Mass830.37
IUPAC NameN'-[(Z)-1-[4-(9,9-diphenylfluoren-1-yl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)prop-1-enyl]benzenecarboximidamide
SMILESN/C(=N\C(=C/Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccc(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc12)c1ccccc1
InChIInChI=1S/C63H46N2/c64-62(47-25-10-3-11-26-47)65-60(40-37-44-41-48(45-21-6-1-7-22-45)43-49(42-44)46-23-8-2-9-24-46)56-39-38-54(52-31-16-17-32-53(52)56)57-34-20-35-58-55-33-18-19-36-59(55)63(61(57)58,50-27-12-4-13-28-50)51-29-14-5-15-30-51/h1-36,38-43H,37H2,(H2,64,65)/b60-40-
InChIKeyBLHQMHPRVOJXPY-GTRVILLYSA-N
XLogP15.19
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.08
LogP ≤ 515.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide
CID 176835262
N'-[(Z)-1-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]benzenecarboximidamide
CID 176835217
N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide
CID 176834989
N'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide
CID 176834901
(1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine
CID 142296330
N'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide
CID 145327293
N'-(3,5-diphenylbenzenecarboximidoyl)-9,9'-spirobi[fluorene]-2-carboximidamide
CID 146551315
N-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide
CID 178089674
2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 146649156
N'-[(Z)-1-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-3-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)prop-1-enyl]benzenecarboximidamide
CID 174310490
N-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide
CID 135245534
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-[4-(9,9-diphenylfluoren-1-yl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)prop-1-enyl]benzenecarboximidamide?
The IUPAC name of N'-[(Z)-1-[4-(9,9-diphenylfluoren-1-yl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)prop-1-enyl]benzenecarboximidamide (CID 176835261) is N'-[(Z)-1-[4-(9,9-diphenylfluoren-1-yl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)prop-1-enyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-1-[4-(9,9-diphenylfluoren-1-yl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)prop-1-enyl]benzenecarboximidamide?
The canonical SMILES for N'-[(Z)-1-[4-(9,9-diphenylfluoren-1-yl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)prop-1-enyl]benzenecarboximidamide is N/C(=N\C(=C/Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccc(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc12)c1ccccc1.
What is the InChIKey of N'-[(Z)-1-[4-(9,9-diphenylfluoren-1-yl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)prop-1-enyl]benzenecarboximidamide?
The InChIKey is BLHQMHPRVOJXPY-GTRVILLYSA-N. The full InChI is InChI=1S/C63H46N2/c64-62(47-25-10-3-11-26-47)65-60(40-37-44-41-48(45-21-6-1-7-22-45)43-49(42-44)46-23-8-2-9-24-46)56-39-38-54(52-31-16-17-32-53(52)56)57-34-20-35-58-55-33-18-19-36-59(55)63(61(57)58,50-27-12-4-13-28-50)51-29-14-5-15-30-51/h1-36,38-43H,37H2,(H2,64,65)/b60-40-.
What are the key properties of N'-[(Z)-1-[4-(9,9-diphenylfluoren-1-yl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)prop-1-enyl]benzenecarboximidamide?
N'-[(Z)-1-[4-(9,9-diphenylfluoren-1-yl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)prop-1-enyl]benzenecarboximidamide has a molecular weight of 831.08 g/mol, XLogP of 15.19, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-[4-(9,9-diphenylfluoren-1-yl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)prop-1-enyl]benzenecarboximidamide is sourced from PubChem (CID 176835261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).