10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine

C41H30N2 — CID 166958428

IUPAC10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine
SMILESC1=CC2c3ccccc3C3(c4ccccc4N(c4cccc5ccccc45)c4ccc(Nc5ccccc5)cc43)C2C=C1
InChIInChI=1S/C41H30N2/c1-2-15-29(16-3-1)42-30-25-26-40-37(27-30)41(34-20-8-6-18-32(34)33-19-7-9-21-35(33)41)36-22-10-11-23-39(36)43(40)38-24-12-14-28-13-4-5-17-31(28)38/h1-27,32,34,42H
InChIKeyVKWRLDMBHRXGSU-UHFFFAOYSA-N
MW550.71 g/mol
LogP10.54
Rot. Bonds3

About 10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine

10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine (PubChem CID 166958428) has the molecular formula C41H30N2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine.

Molecular Properties

Compound Name10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine
PubChem CID166958428
Molecular FormulaC41H30N2
Molecular Weight550.71 g/mol
Exact Mass550.24
IUPAC Name10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine
SMILESC1=CC2c3ccccc3C3(c4ccccc4N(c4cccc5ccccc45)c4ccc(Nc5ccccc5)cc43)C2C=C1
InChIInChI=1S/C41H30N2/c1-2-15-29(16-3-1)42-30-25-26-40-37(27-30)41(34-20-8-6-18-32(34)33-19-7-9-21-35(33)41)36-22-10-11-23-39(36)43(40)38-24-12-14-28-13-4-5-17-31(28)38/h1-27,32,34,42H
InChIKeyVKWRLDMBHRXGSU-UHFFFAOYSA-N
XLogP10.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.71
LogP ≤ 510.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine
CID 155484351
N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine
CID 70878231
N,6'-diphenylspiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-3'-amine
CID 166958485
spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene]
CID 135233943
N-[4-[4-ethyl-3-(2-methylphenyl)phenyl]phenyl]-3-(9-phenyl-4a,9a-dihydrofluoren-9-yl)aniline
CID 166714576
2-phenanthren-2-yl-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 155442762
7'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene]
CID 143269262
3-N',6-N,6-N-triphenyl-3-N'-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3'-ylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775478
CID 163666142
CID 163666142
4-phenanthren-2-yl-6-phenyl-2-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155442773
4-phenanthren-2-yl-6-phenyl-2-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155443455
N-phenylphenanthren-2-amine
CID 23175030

Frequently Asked Questions

What is the IUPAC name of 10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine?
The IUPAC name of 10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine (CID 166958428) is 10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine.
What is the SMILES notation for 10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine?
The canonical SMILES for 10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine is C1=CC2c3ccccc3C3(c4ccccc4N(c4cccc5ccccc45)c4ccc(Nc5ccccc5)cc43)C2C=C1.
What is the InChIKey of 10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine?
The InChIKey is VKWRLDMBHRXGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2/c1-2-15-29(16-3-1)42-30-25-26-40-37(27-30)41(34-20-8-6-18-32(34)33-19-7-9-21-35(33)41)36-22-10-11-23-39(36)43(40)38-24-12-14-28-13-4-5-17-31(28)38/h1-27,32,34,42H.
What are the key properties of 10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine?
10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine has a molecular weight of 550.71 g/mol, XLogP of 10.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine is sourced from PubChem (CID 166958428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).