N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine

C55H39N — CID 129085794

IUPACN-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine
SMILESCc1cc(-c2ccccc2)ccc1N(c1cccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1)c1ccc2c3c(cccc13)C21c2cccc3cccc1c23
InChIInChI=1S/C55H39N/c1-34-31-38(35-13-5-4-6-14-35)26-29-50(34)56(40-18-9-17-37(32-40)39-25-27-42-41-19-7-8-21-44(41)54(2,3)49(42)33-39)51-30-28-48-53-43(51)20-12-24-47(53)55(48)45-22-10-15-36-16-11-23-46(55)52(36)45/h4-33H,1-3H3
InChIKeyCCRGNWORTHBHQZ-UHFFFAOYSA-N
MW713.92 g/mol
LogP14.42
Rot. Bonds5

About N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine

N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine (PubChem CID 129085794) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine.

Molecular Properties

Compound NameN-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine
PubChem CID129085794
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC NameN-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine
SMILESCc1cc(-c2ccccc2)ccc1N(c1cccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1)c1ccc2c3c(cccc13)C21c2cccc3cccc1c23
InChIInChI=1S/C55H39N/c1-34-31-38(35-13-5-4-6-14-35)26-29-50(34)56(40-18-9-17-37(32-40)39-25-27-42-41-19-7-8-21-44(41)54(2,3)49(42)33-39)51-30-28-48-53-43(51)20-12-24-47(53)55(48)45-22-10-15-36-16-11-23-46(55)52(36)45/h4-33H,1-3H3
InChIKeyCCRGNWORTHBHQZ-UHFFFAOYSA-N
XLogP14.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 155220981
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 121323104
CID 167176882
CID 167176882
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 129259092
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167411485
10-N,10-N-bis[3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-N-naphthalen-2-yl-9-N-phenylanthracene-9,10-diamine
CID 138667147
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 129259070
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine
CID 167232083
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155181614

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine?
The IUPAC name of N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine (CID 129085794) is N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine.
What is the SMILES notation for N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine?
The canonical SMILES for N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine is Cc1cc(-c2ccccc2)ccc1N(c1cccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1)c1ccc2c3c(cccc13)C21c2cccc3cccc1c23.
What is the InChIKey of N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine?
The InChIKey is CCRGNWORTHBHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-34-31-38(35-13-5-4-6-14-35)26-29-50(34)56(40-18-9-17-37(32-40)39-25-27-42-41-19-7-8-21-44(41)54(2,3)49(42)33-39)51-30-28-48-53-43(51)20-12-24-47(53)55(48)45-22-10-15-36-16-11-23-46(55)52(36)45/h4-33H,1-3H3.
What are the key properties of N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine?
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine has a molecular weight of 713.92 g/mol, XLogP of 14.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-methyl-4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-amine is sourced from PubChem (CID 129085794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).