N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C45H39N — CID 174330293

IUPACN-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)CCC(C)(C)c2c(-c3cccc(Nc4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)cccc21
InChIInChI=1S/C45H39N/c1-43(2)25-26-44(3,4)42-32(18-12-22-40(42)43)29-13-11-14-30(27-29)46-31-23-24-36-35-17-7-10-21-39(35)45(41(36)28-31)37-19-8-5-15-33(37)34-16-6-9-20-38(34)45/h5-24,27-28,46H,25-26H2,1-4H3
InChIKeySOSJMYSYLXZYEW-UHFFFAOYSA-N
MW593.81 g/mol
LogP11.79
Rot. Bonds3

About N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 174330293) has the molecular formula C45H39N and a molecular weight of 593.81 g/mol. Its IUPAC name is N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID174330293
Molecular FormulaC45H39N
Molecular Weight593.81 g/mol
Exact Mass593.31
IUPAC NameN-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)CCC(C)(C)c2c(-c3cccc(Nc4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)cccc21
InChIInChI=1S/C45H39N/c1-43(2)25-26-44(3,4)42-32(18-12-22-40(42)43)29-13-11-14-30(27-29)46-31-23-24-36-35-17-7-10-21-39(35)45(41(36)28-31)37-19-8-5-15-33(37)34-16-6-9-20-38(34)45/h5-24,27-28,46H,25-26H2,1-4H3
InChIKeySOSJMYSYLXZYEW-UHFFFAOYSA-N
XLogP11.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.81
LogP ≤ 511.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449621
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
N-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 170153572
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449602
N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 138577304
3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 139380106
N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 166714648
N-(9,9-dimethylfluoren-2-yl)-2',7'-bis(1-methylcyclopentyl)-9,9'-spirobi[fluorene]-2-amine
CID 167287438
N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448163
5,5,8,8-tetramethyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 174330207
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 166659129

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 174330293) is N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is CC1(C)CCC(C)(C)c2c(-c3cccc(Nc4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)cccc21.
What is the InChIKey of N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is SOSJMYSYLXZYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H39N/c1-43(2)25-26-44(3,4)42-32(18-12-22-40(42)43)29-13-11-14-30(27-29)46-31-23-24-36-35-17-7-10-21-39(35)45(41(36)28-31)37-19-8-5-15-33(37)34-16-6-9-20-38(34)45/h5-24,27-28,46H,25-26H2,1-4H3.
What are the key properties of N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 593.81 g/mol, XLogP of 11.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 174330293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).