N-[9,9-bis(4-isocyanophenyl)fluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C54H37N3 — CID 140882673

IUPACN-[9,9-bis(4-isocyanophenyl)fluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILES[C-]#[N+]c1ccc(C2(c3ccc([N+]#[C-])cc3)c3ccccc3-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cccc32)cc1
InChIInChI=1S/C54H37N3/c1-53(2)47-17-10-8-15-44(47)45-34-33-43(35-50(45)53)57(42-31-21-37(22-32-42)36-13-6-5-7-14-36)51-20-12-19-49-52(51)46-16-9-11-18-48(46)54(49,38-23-27-40(55-3)28-24-38)39-25-29-41(56-4)30-26-39/h5-35H,1-2H3
InChIKeyLYQMTRWARLFZSB-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.59
Rot. Bonds6

About N-[9,9-bis(4-isocyanophenyl)fluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[9,9-bis(4-isocyanophenyl)fluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 140882673) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is N-[9,9-bis(4-isocyanophenyl)fluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[9,9-bis(4-isocyanophenyl)fluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID140882673
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC NameN-[9,9-bis(4-isocyanophenyl)fluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILES[C-]#[N+]c1ccc(C2(c3ccc([N+]#[C-])cc3)c3ccccc3-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cccc32)cc1
InChIInChI=1S/C54H37N3/c1-53(2)47-17-10-8-15-44(47)45-34-33-43(35-50(45)53)57(42-31-21-37(22-32-42)36-13-6-5-7-14-36)51-20-12-19-49-52(51)46-16-9-11-18-48(46)54(49,38-23-27-40(55-3)28-24-38)39-25-29-41(56-4)30-26-39/h5-35H,1-2H3
InChIKeyLYQMTRWARLFZSB-UHFFFAOYSA-N
XLogP14.59
TPSA11.96 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
2-N,7-N-bis[9,9-bis(4-ethenylphenyl)fluoren-4-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 139340690
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582433
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548483
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 126548400
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine
CID 135193179
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 135193258
N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 158283164
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480849
N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193279

Frequently Asked Questions

What is the IUPAC name of N-[9,9-bis(4-isocyanophenyl)fluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[9,9-bis(4-isocyanophenyl)fluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 140882673) is N-[9,9-bis(4-isocyanophenyl)fluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[9,9-bis(4-isocyanophenyl)fluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[9,9-bis(4-isocyanophenyl)fluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is [C-]#[N+]c1ccc(C2(c3ccc([N+]#[C-])cc3)c3ccccc3-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cccc32)cc1.
What is the InChIKey of N-[9,9-bis(4-isocyanophenyl)fluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is LYQMTRWARLFZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-53(2)47-17-10-8-15-44(47)45-34-33-43(35-50(45)53)57(42-31-21-37(22-32-42)36-13-6-5-7-14-36)51-20-12-19-49-52(51)46-16-9-11-18-48(46)54(49,38-23-27-40(55-3)28-24-38)39-25-29-41(56-4)30-26-39/h5-35H,1-2H3.
What are the key properties of N-[9,9-bis(4-isocyanophenyl)fluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[9,9-bis(4-isocyanophenyl)fluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 727.91 g/mol, XLogP of 14.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-bis(4-isocyanophenyl)fluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 140882673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).