N'-[[9-(3-anilinonaphthalen-2-yl)-9-naphthalen-2-ylfluoren-2-yl]-[(4-phenylphenyl)methylamino]methyl]-1-phenylmethanediamine

C60H48N4 — CID 134304673

IUPACN'-[[9-(3-anilinonaphthalen-2-yl)-9-naphthalen-2-ylfluoren-2-yl]-[(4-phenylphenyl)methylamino]methyl]-1-phenylmethanediamine
SMILESNC(NC(NCc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(c1ccc3ccccc3c1)(c1cc3ccccc3cc1Nc1ccccc1)c1ccccc1-2)c1ccccc1
InChIInChI=1S/C60H48N4/c61-58(45-19-6-2-7-20-45)64-59(62-40-41-28-30-44(31-29-41)42-16-4-1-5-17-42)49-33-35-53-52-26-14-15-27-54(52)60(55(53)38-49,50-34-32-43-18-10-11-21-46(43)36-50)56-37-47-22-12-13-23-48(47)39-57(56)63-51-24-8-3-9-25-51/h1-39,58-59,62-64H,40,61H2
InChIKeyQQWPNNYVRBEWFN-UHFFFAOYSA-N
MW825.07 g/mol
LogP13.80
Rot. Bonds12

About N'-[[9-(3-anilinonaphthalen-2-yl)-9-naphthalen-2-ylfluoren-2-yl]-[(4-phenylphenyl)methylamino]methyl]-1-phenylmethanediamine

N'-[[9-(3-anilinonaphthalen-2-yl)-9-naphthalen-2-ylfluoren-2-yl]-[(4-phenylphenyl)methylamino]methyl]-1-phenylmethanediamine (PubChem CID 134304673) has the molecular formula C60H48N4 and a molecular weight of 825.07 g/mol. Its IUPAC name is N'-[[9-(3-anilinonaphthalen-2-yl)-9-naphthalen-2-ylfluoren-2-yl]-[(4-phenylphenyl)methylamino]methyl]-1-phenylmethanediamine.

Molecular Properties

Compound NameN'-[[9-(3-anilinonaphthalen-2-yl)-9-naphthalen-2-ylfluoren-2-yl]-[(4-phenylphenyl)methylamino]methyl]-1-phenylmethanediamine
PubChem CID134304673
Molecular FormulaC60H48N4
Molecular Weight825.07 g/mol
Exact Mass824.39
IUPAC NameN'-[[9-(3-anilinonaphthalen-2-yl)-9-naphthalen-2-ylfluoren-2-yl]-[(4-phenylphenyl)methylamino]methyl]-1-phenylmethanediamine
SMILESNC(NC(NCc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(c1ccc3ccccc3c1)(c1cc3ccccc3cc1Nc1ccccc1)c1ccccc1-2)c1ccccc1
InChIInChI=1S/C60H48N4/c61-58(45-19-6-2-7-20-45)64-59(62-40-41-28-30-44(31-29-41)42-16-4-1-5-17-42)49-33-35-53-52-26-14-15-27-54(52)60(55(53)38-49,50-34-32-43-18-10-11-21-46(43)36-50)56-37-47-22-12-13-23-48(47)39-57(56)63-51-24-8-3-9-25-51/h1-39,58-59,62-64H,40,61H2
InChIKeyQQWPNNYVRBEWFN-UHFFFAOYSA-N
XLogP13.80
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.07
LogP ≤ 513.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-[(benzylamino)-[4-[(9,9-dimethyl-4-phenylfluoren-3-yl)amino]phenyl]methyl]-1-phenylmethanediamine
CID 118464318
1-phenyl-N'-[[4-[(2-phenyldibenzothiophen-3-yl)amino]phenyl]-[(4-phenylphenyl)methylamino]methyl]methanediamine
CID 118534115
N'-[(4-benzo[a]anthracen-7-ylphenyl)-[(4-naphthalen-2-ylphenyl)methylamino]methyl]-1-phenylmethanediamine
CID 167252193
9,9-dinaphthalen-2-yl-2,7-bis(4-phenylphenyl)fluorene
CID 144772685
2-(naphthalen-1-ylmethyl)-9,9-diphenylfluorene;1-(naphthalen-2-ylmethyl)naphthalene;2-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene];N-(4-phenylphenyl)naphthalen-1-amine;N,9,9-triphenylfluoren-2-amine
CID 158247118
2,9,9-trinaphthalen-2-ylfluorene
CID 144772576
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841
2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene
CID 165030326
N-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine
CID 121356041
11-(6,7-dimethylnaphthalen-2-yl)-11-[4-[4-[9-(6,7-dimethylnaphthalen-2-yl)fluoren-9-yl]phenyl]phenyl]benzo[b]fluorene
CID 164808737
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 177114050

Frequently Asked Questions

What is the IUPAC name of N'-[[9-(3-anilinonaphthalen-2-yl)-9-naphthalen-2-ylfluoren-2-yl]-[(4-phenylphenyl)methylamino]methyl]-1-phenylmethanediamine?
The IUPAC name of N'-[[9-(3-anilinonaphthalen-2-yl)-9-naphthalen-2-ylfluoren-2-yl]-[(4-phenylphenyl)methylamino]methyl]-1-phenylmethanediamine (CID 134304673) is N'-[[9-(3-anilinonaphthalen-2-yl)-9-naphthalen-2-ylfluoren-2-yl]-[(4-phenylphenyl)methylamino]methyl]-1-phenylmethanediamine.
What is the SMILES notation for N'-[[9-(3-anilinonaphthalen-2-yl)-9-naphthalen-2-ylfluoren-2-yl]-[(4-phenylphenyl)methylamino]methyl]-1-phenylmethanediamine?
The canonical SMILES for N'-[[9-(3-anilinonaphthalen-2-yl)-9-naphthalen-2-ylfluoren-2-yl]-[(4-phenylphenyl)methylamino]methyl]-1-phenylmethanediamine is NC(NC(NCc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(c1ccc3ccccc3c1)(c1cc3ccccc3cc1Nc1ccccc1)c1ccccc1-2)c1ccccc1.
What is the InChIKey of N'-[[9-(3-anilinonaphthalen-2-yl)-9-naphthalen-2-ylfluoren-2-yl]-[(4-phenylphenyl)methylamino]methyl]-1-phenylmethanediamine?
The InChIKey is QQWPNNYVRBEWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N4/c61-58(45-19-6-2-7-20-45)64-59(62-40-41-28-30-44(31-29-41)42-16-4-1-5-17-42)49-33-35-53-52-26-14-15-27-54(52)60(55(53)38-49,50-34-32-43-18-10-11-21-46(43)36-50)56-37-47-22-12-13-23-48(47)39-57(56)63-51-24-8-3-9-25-51/h1-39,58-59,62-64H,40,61H2.
What are the key properties of N'-[[9-(3-anilinonaphthalen-2-yl)-9-naphthalen-2-ylfluoren-2-yl]-[(4-phenylphenyl)methylamino]methyl]-1-phenylmethanediamine?
N'-[[9-(3-anilinonaphthalen-2-yl)-9-naphthalen-2-ylfluoren-2-yl]-[(4-phenylphenyl)methylamino]methyl]-1-phenylmethanediamine has a molecular weight of 825.07 g/mol, XLogP of 13.80, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[9-(3-anilinonaphthalen-2-yl)-9-naphthalen-2-ylfluoren-2-yl]-[(4-phenylphenyl)methylamino]methyl]-1-phenylmethanediamine is sourced from PubChem (CID 134304673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).