N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine

C55H45N — CID 156568216

IUPACN-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine
SMILESc1ccc2c(c1)-c1cc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5ccccc5c4)cc3)ccc1C21CC2CCC3CC2CC1C3
InChIInChI=1S/C55H45N/c1-3-9-41-31-43(16-15-37(41)7-1)39-17-23-48(24-18-39)56(50-27-21-38-8-2-4-10-42(38)33-50)49-25-19-40(20-26-49)44-22-28-54-52(34-44)51-11-5-6-12-53(51)55(54)35-45-14-13-36-29-46(45)32-47(55)30-36/h1-12,15-28,31,33-34,36,45-47H,13-14,29-30,32,35H2
InChIKeyRVLCKCRUDQNSLJ-UHFFFAOYSA-N
MW719.97 g/mol
LogP14.91
Rot. Bonds5

About N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine

N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine (PubChem CID 156568216) has the molecular formula C55H45N and a molecular weight of 719.97 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine
PubChem CID156568216
Molecular FormulaC55H45N
Molecular Weight719.97 g/mol
Exact Mass719.36
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine
SMILESc1ccc2c(c1)-c1cc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5ccccc5c4)cc3)ccc1C21CC2CCC3CC2CC1C3
InChIInChI=1S/C55H45N/c1-3-9-41-31-43(16-15-37(41)7-1)39-17-23-48(24-18-39)56(50-27-21-38-8-2-4-10-42(38)33-50)49-25-19-40(20-26-49)44-22-28-54-52(34-44)51-11-5-6-12-53(51)55(54)35-45-14-13-36-29-46(45)32-47(55)30-36/h1-12,15-28,31,33-34,36,45-47H,13-14,29-30,32,35H2
InChIKeyRVLCKCRUDQNSLJ-UHFFFAOYSA-N
XLogP14.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.97
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine
CID 156567937
2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline
CID 156567564
N-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine
CID 170121119
N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenanthren-2-amine
CID 166508480
N-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567778
N-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine
CID 156567998
N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567511
N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508521
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline
CID 166508560
N-(4-naphthalen-2-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722677
N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine
CID 156567366
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508547

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine (CID 156568216) is N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine is c1ccc2c(c1)-c1cc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5ccccc5c4)cc3)ccc1C21CC2CCC3CC2CC1C3.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine?
The InChIKey is RVLCKCRUDQNSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45N/c1-3-9-41-31-43(16-15-37(41)7-1)39-17-23-48(24-18-39)56(50-27-21-38-8-2-4-10-42(38)33-50)49-25-19-40(20-26-49)44-22-28-54-52(34-44)51-11-5-6-12-53(51)55(54)35-45-14-13-36-29-46(45)32-47(55)30-36/h1-12,15-28,31,33-34,36,45-47H,13-14,29-30,32,35H2.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine?
N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine has a molecular weight of 719.97 g/mol, XLogP of 14.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 156568216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).