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

C52H47N — CID 178036936

IUPACN-(9,9-dimethylfluoren-2-yl)-1',1',3,3-tetramethyl-N-(4-naphthalen-1-ylphenyl)-1,3'-spirobi[2H-indene]-4-amine
SMILESCC1(C)CC2(CC(C)(C)c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cccc32)c2ccccc21
InChIInChI=1S/C52H47N/c1-49(2)32-52(44-22-12-11-21-43(44)49)33-50(3,4)48-45(52)23-14-24-47(48)53(37-29-30-41-40-18-9-10-20-42(40)51(5,6)46(41)31-37)36-27-25-35(26-28-36)39-19-13-16-34-15-7-8-17-38(34)39/h7-31H,32-33H2,1-6H3
InChIKeyKIBTWOAQCWZNRW-UHFFFAOYSA-N
MW685.96 g/mol
LogP13.93
Rot. Bonds4

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

N-(9,9-dimethylfluoren-2-yl)-1',1',3,3-tetramethyl-N-(4-naphthalen-1-ylphenyl)-1,3'-spirobi[2H-indene]-4-amine (PubChem CID 178036936) has the molecular formula C52H47N and a molecular weight of 685.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-1',1',3,3-tetramethyl-N-(4-naphthalen-1-ylphenyl)-1,3'-spirobi[2H-indene]-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-1',1',3,3-tetramethyl-N-(4-naphthalen-1-ylphenyl)-1,3'-spirobi[2H-indene]-4-amine
PubChem CID178036936
Molecular FormulaC52H47N
Molecular Weight685.96 g/mol
Exact Mass685.37
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-1',1',3,3-tetramethyl-N-(4-naphthalen-1-ylphenyl)-1,3'-spirobi[2H-indene]-4-amine
SMILESCC1(C)CC2(CC(C)(C)c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cccc32)c2ccccc21
InChIInChI=1S/C52H47N/c1-49(2)32-52(44-22-12-11-21-43(44)49)33-50(3,4)48-45(52)23-14-24-47(48)53(37-29-30-41-40-18-9-10-20-42(40)51(5,6)46(41)31-37)36-27-25-35(26-28-36)39-19-13-16-34-15-7-8-17-38(34)39/h7-31H,32-33H2,1-6H3
InChIKeyKIBTWOAQCWZNRW-UHFFFAOYSA-N
XLogP13.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.96
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
9,9-dimethyl-N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167234692
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine
CID 167232336
N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine
CID 177294607
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
N-[4-[2,5-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 176611444
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-4'-phenyl-9,9'-spirobi[fluorene]-1-amine
CID 129258882
9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(3,4-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 161245127
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1',1',3,3-tetramethyl-N-(4-naphthalen-1-ylphenyl)-1,3'-spirobi[2H-indene]-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1',1',3,3-tetramethyl-N-(4-naphthalen-1-ylphenyl)-1,3'-spirobi[2H-indene]-4-amine (CID 178036936) is N-(9,9-dimethylfluoren-2-yl)-1',1',3,3-tetramethyl-N-(4-naphthalen-1-ylphenyl)-1,3'-spirobi[2H-indene]-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-1',1',3,3-tetramethyl-N-(4-naphthalen-1-ylphenyl)-1,3'-spirobi[2H-indene]-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-1',1',3,3-tetramethyl-N-(4-naphthalen-1-ylphenyl)-1,3'-spirobi[2H-indene]-4-amine is CC1(C)CC2(CC(C)(C)c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cccc32)c2ccccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-1',1',3,3-tetramethyl-N-(4-naphthalen-1-ylphenyl)-1,3'-spirobi[2H-indene]-4-amine?
The InChIKey is KIBTWOAQCWZNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H47N/c1-49(2)32-52(44-22-12-11-21-43(44)49)33-50(3,4)48-45(52)23-14-24-47(48)53(37-29-30-41-40-18-9-10-20-42(40)51(5,6)46(41)31-37)36-27-25-35(26-28-36)39-19-13-16-34-15-7-8-17-38(34)39/h7-31H,32-33H2,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-1',1',3,3-tetramethyl-N-(4-naphthalen-1-ylphenyl)-1,3'-spirobi[2H-indene]-4-amine?
N-(9,9-dimethylfluoren-2-yl)-1',1',3,3-tetramethyl-N-(4-naphthalen-1-ylphenyl)-1,3'-spirobi[2H-indene]-4-amine has a molecular weight of 685.96 g/mol, XLogP of 13.93, 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-2-yl)-1',1',3,3-tetramethyl-N-(4-naphthalen-1-ylphenyl)-1,3'-spirobi[2H-indene]-4-amine is sourced from PubChem (CID 178036936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).