N-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine

C48H45N — CID 178037014

IUPACN-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine
SMILESCC1(C)CC2(CC(C)(C)c3cc(N(c4ccccc4-c4ccccc4)c4cccc5c4-c4ccccc4C5(C)C)ccc32)c2ccccc21
InChIInChI=1S/C48H45N/c1-45(2)30-48(38-23-14-13-22-37(38)45)31-46(3,4)41-29-33(27-28-39(41)48)49(42-25-15-11-19-34(42)32-17-8-7-9-18-32)43-26-16-24-40-44(43)35-20-10-12-21-36(35)47(40,5)6/h7-29H,30-31H2,1-6H3
InChIKeyDONCQIQKEFLSCO-UHFFFAOYSA-N
MW635.90 g/mol
LogP12.78
Rot. Bonds4

About N-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine

N-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine (PubChem CID 178037014) has the molecular formula C48H45N and a molecular weight of 635.90 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine
PubChem CID178037014
Molecular FormulaC48H45N
Molecular Weight635.90 g/mol
Exact Mass635.36
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine
SMILESCC1(C)CC2(CC(C)(C)c3cc(N(c4ccccc4-c4ccccc4)c4cccc5c4-c4ccccc4C5(C)C)ccc32)c2ccccc21
InChIInChI=1S/C48H45N/c1-45(2)30-48(38-23-14-13-22-37(38)45)31-46(3,4)41-29-33(27-28-39(41)48)49(42-25-15-11-19-34(42)32-17-8-7-9-18-32)43-26-16-24-40-44(43)35-20-10-12-21-36(35)47(40,5)6/h7-29H,30-31H2,1-6H3
InChIKeyDONCQIQKEFLSCO-UHFFFAOYSA-N
XLogP12.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.90
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine
CID 178036941
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 134487997
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121285745
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 126548400
10-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-N-phenyl-2-N-(2-phenylphenyl)-2-N-(4-phenylphenyl)indeno[1,2-b]fluorene-2,10-diamine
CID 138462008
9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170303411
N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine
CID 167285837
9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168790837
N-(9,9-dimethylfluoren-4-yl)-N-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-7,7-dimethyl-5-phenylbenzo[g]fluoren-9-amine
CID 159323386
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine (CID 178037014) is N-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine is CC1(C)CC2(CC(C)(C)c3cc(N(c4ccccc4-c4ccccc4)c4cccc5c4-c4ccccc4C5(C)C)ccc32)c2ccccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine?
The InChIKey is DONCQIQKEFLSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H45N/c1-45(2)30-48(38-23-14-13-22-37(38)45)31-46(3,4)41-29-33(27-28-39(41)48)49(42-25-15-11-19-34(42)32-17-8-7-9-18-32)43-26-16-24-40-44(43)35-20-10-12-21-36(35)47(40,5)6/h7-29H,30-31H2,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine?
N-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine has a molecular weight of 635.90 g/mol, XLogP of 12.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine is sourced from PubChem (CID 178037014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).