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

C61H45N — CID 170292333

IUPAC2-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
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC5CC2C453)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C61H45N/c1-3-17-39(18-4-1)45-23-8-12-30-54(45)62(56-32-14-10-26-50(56)51-28-16-22-41-21-15-27-47(59(41)51)40-19-5-2-6-20-40)55-31-13-9-24-46(55)42-33-34-49-48-25-7-11-29-52(48)61(53(49)35-42)57-37-43-36-44-38-58(61)60(43,44)57/h1-35,43-44,57-58H,36-38H2
InChIKeyFIIFHFKCNPZSDL-UHFFFAOYSA-N
MW792.04 g/mol
LogP15.92
Rot. Bonds7

About 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

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 (PubChem CID 170292333) has the molecular formula C61H45N and a molecular weight of 792.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID170292333
Molecular FormulaC61H45N
Molecular Weight792.04 g/mol
Exact Mass791.36
IUPAC Name2-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
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC5CC2C453)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C61H45N/c1-3-17-39(18-4-1)45-23-8-12-30-54(45)62(56-32-14-10-26-50(56)51-28-16-22-41-21-15-27-47(59(41)51)40-19-5-2-6-20-40)55-31-13-9-24-46(55)42-33-34-49-48-25-7-11-29-52(48)61(53(49)35-42)57-37-43-36-44-38-58(61)60(43,44)57/h1-35,43-44,57-58H,36-38H2
InChIKeyFIIFHFKCNPZSDL-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.04
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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
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
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine
CID 170303856
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline
CID 170304099
N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine
CID 170085848
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine
CID 170303754
9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine
CID 170304350
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-phenanthren-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine
CID 170303707
2-(9,9-dimethylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303385
2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303468
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-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170302488

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccccc2N(c2ccccc2-c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC5CC2C453)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1.
What is the InChIKey of 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?
The InChIKey is FIIFHFKCNPZSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N/c1-3-17-39(18-4-1)45-23-8-12-30-54(45)62(56-32-14-10-26-50(56)51-28-16-22-41-21-15-27-47(59(41)51)40-19-5-2-6-20-40)55-31-13-9-24-46(55)42-33-34-49-48-25-7-11-29-52(48)61(53(49)35-42)57-37-43-36-44-38-58(61)60(43,44)57/h1-35,43-44,57-58H,36-38H2.
What are the key properties of 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?
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 has a molecular weight of 792.04 g/mol, XLogP of 15.92, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170292333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).