N-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-2-ylaniline

C54H41N — CID 170292027

IUPACN-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-2-ylaniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4)c4ccccc4-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC5CC64)c23)cc1
InChIInChI=1S/C54H41N/c1-3-15-35(16-4-1)42-24-13-17-36-18-14-25-46(53(36)42)45-23-9-12-28-52(45)55(40-19-5-2-6-20-40)51-27-11-8-21-41(51)37-29-30-44-43-22-7-10-26-47(43)54(50(44)32-37)48-33-38-31-39(48)34-49(38)54/h1-30,32,38-39,48-49H,31,33-34H2
InChIKeyPSQJNEFDCDTCLN-UHFFFAOYSA-N
MW703.93 g/mol
LogP14.25
Rot. Bonds6

About N-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-2-ylaniline

N-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-2-ylaniline (PubChem CID 170292027) has the molecular formula C54H41N and a molecular weight of 703.93 g/mol. Its IUPAC name is N-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-2-ylaniline.

Molecular Properties

Compound NameN-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-2-ylaniline
PubChem CID170292027
Molecular FormulaC54H41N
Molecular Weight703.93 g/mol
Exact Mass703.32
IUPAC NameN-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-2-ylaniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4)c4ccccc4-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC5CC64)c23)cc1
InChIInChI=1S/C54H41N/c1-3-15-35(16-4-1)42-24-13-17-36-18-14-25-46(53(36)42)45-23-9-12-28-52(45)55(40-19-5-2-6-20-40)51-27-11-8-21-41(51)37-29-30-44-43-22-7-10-26-47(43)54(50(44)32-37)48-33-38-31-39(48)34-49(38)54/h1-30,32,38-39,48-49H,31,33-34H2
InChIKeyPSQJNEFDCDTCLN-UHFFFAOYSA-N
XLogP14.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.93
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylphenyl)aniline
CID 170292333
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-4-amine
CID 170302229
N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline
CID 170302446
2-(9,9-dimethylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303385
N-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291967
3,5-ditert-butyl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291554
5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304711
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304738
3,5-ditert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291584
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170137215
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303519
2-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304323

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-2-ylaniline?
The IUPAC name of N-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-2-ylaniline (CID 170292027) is N-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-2-ylaniline.
What is the SMILES notation for N-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-2-ylaniline?
The canonical SMILES for N-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-2-ylaniline is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4)c4ccccc4-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC5CC64)c23)cc1.
What is the InChIKey of N-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-2-ylaniline?
The InChIKey is PSQJNEFDCDTCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N/c1-3-15-35(16-4-1)42-24-13-17-36-18-14-25-46(53(36)42)45-23-9-12-28-52(45)55(40-19-5-2-6-20-40)51-27-11-8-21-41(51)37-29-30-44-43-22-7-10-26-47(43)54(50(44)32-37)48-33-38-31-39(48)34-49(38)54/h1-30,32,38-39,48-49H,31,33-34H2.
What are the key properties of N-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-2-ylaniline?
N-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-2-ylaniline has a molecular weight of 703.93 g/mol, XLogP of 14.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tricyclo[3.3.0.03,7]octane]-2-ylaniline is sourced from PubChem (CID 170292027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).