N'-[(2S)-2-amino-1-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenylethyl]benzenecarboximidamide

C52H41N3 — CID 121450619

IUPACN'-[(2S)-2-amino-1-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenylethyl]benzenecarboximidamide
SMILESN/C(=N\C(c1cccc(-c2ccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)c1)[C@@H](N)c1ccccc1)c1ccccc1
InChIInChI=1S/C52H41N3/c53-49(38-16-5-1-6-17-38)50(55-51(54)39-18-7-2-8-19-39)42-21-15-20-40(34-42)36-28-30-37(31-29-36)41-32-33-48-46(35-41)45-26-13-14-27-47(45)52(48,43-22-9-3-10-23-43)44-24-11-4-12-25-44/h1-35,49-50H,53H2,(H2,54,55)/t49-,50?/m0/s1
InChIKeySATUADJYPRLFLD-OKFYPZDCSA-N
MW707.92 g/mol
LogP11.53
Rot. Bonds9

About N'-[(2S)-2-amino-1-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenylethyl]benzenecarboximidamide

N'-[(2S)-2-amino-1-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenylethyl]benzenecarboximidamide (PubChem CID 121450619) has the molecular formula C52H41N3 and a molecular weight of 707.92 g/mol. Its IUPAC name is N'-[(2S)-2-amino-1-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenylethyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(2S)-2-amino-1-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenylethyl]benzenecarboximidamide
PubChem CID121450619
Molecular FormulaC52H41N3
Molecular Weight707.92 g/mol
Exact Mass707.33
IUPAC NameN'-[(2S)-2-amino-1-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenylethyl]benzenecarboximidamide
SMILESN/C(=N\C(c1cccc(-c2ccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)c1)[C@@H](N)c1ccccc1)c1ccccc1
InChIInChI=1S/C52H41N3/c53-49(38-16-5-1-6-17-38)50(55-51(54)39-18-7-2-8-19-39)42-21-15-20-40(34-42)36-28-30-37(31-29-36)41-32-33-48-46(35-41)45-26-13-14-27-47(45)52(48,43-22-9-3-10-23-43)44-24-11-4-12-25-44/h1-35,49-50H,53H2,(H2,54,55)/t49-,50?/m0/s1
InChIKeySATUADJYPRLFLD-OKFYPZDCSA-N
XLogP11.53
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.92
LogP ≤ 511.53
H-Bond Donors ≤ 52
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

3,9,9-triphenylfluorene
CID 140844354
2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450656
2-(9,9-diphenylfluoren-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 122416353
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline
CID 162510714
2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150875
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 134272105
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159194371
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340
2-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 158766572

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-amino-1-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenylethyl]benzenecarboximidamide?
The IUPAC name of N'-[(2S)-2-amino-1-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenylethyl]benzenecarboximidamide (CID 121450619) is N'-[(2S)-2-amino-1-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenylethyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(2S)-2-amino-1-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenylethyl]benzenecarboximidamide?
The canonical SMILES for N'-[(2S)-2-amino-1-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenylethyl]benzenecarboximidamide is N/C(=N\C(c1cccc(-c2ccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)c1)[C@@H](N)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[(2S)-2-amino-1-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenylethyl]benzenecarboximidamide?
The InChIKey is SATUADJYPRLFLD-OKFYPZDCSA-N. The full InChI is InChI=1S/C52H41N3/c53-49(38-16-5-1-6-17-38)50(55-51(54)39-18-7-2-8-19-39)42-21-15-20-40(34-42)36-28-30-37(31-29-36)41-32-33-48-46(35-41)45-26-13-14-27-47(45)52(48,43-22-9-3-10-23-43)44-24-11-4-12-25-44/h1-35,49-50H,53H2,(H2,54,55)/t49-,50?/m0/s1.
What are the key properties of N'-[(2S)-2-amino-1-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenylethyl]benzenecarboximidamide?
N'-[(2S)-2-amino-1-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenylethyl]benzenecarboximidamide has a molecular weight of 707.92 g/mol, XLogP of 11.53, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-amino-1-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenylethyl]benzenecarboximidamide is sourced from PubChem (CID 121450619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).