N-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine

C54H51N — CID 177269838

IUPACN-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4cc5c(cc4-c4ccccc4)C(C)(C)C(C)(C)C5(C)C)c3)cc21
InChIInChI=1S/C54H51N/c1-51(2)47-28-16-15-27-43(47)44-30-29-42(33-48(44)51)55(40-25-17-23-38(31-40)36-19-11-9-12-20-36)41-26-18-24-39(32-41)46-35-50-49(34-45(46)37-21-13-10-14-22-37)52(3,4)54(7,8)53(50,5)6/h9-35H,1-8H3
InChIKeyIFDRWMCUMAIMRH-UHFFFAOYSA-N
MW714.01 g/mol
LogP15.06
Rot. Bonds6

About N-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine

N-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine (PubChem CID 177269838) has the molecular formula C54H51N and a molecular weight of 714.01 g/mol. Its IUPAC name is N-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
PubChem CID177269838
Molecular FormulaC54H51N
Molecular Weight714.01 g/mol
Exact Mass713.40
IUPAC NameN-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4cc5c(cc4-c4ccccc4)C(C)(C)C(C)(C)C5(C)C)c3)cc21
InChIInChI=1S/C54H51N/c1-51(2)47-28-16-15-27-43(47)44-30-29-42(33-48(44)51)55(40-25-17-23-38(31-40)36-19-11-9-12-20-36)41-26-18-24-39(32-41)46-35-50-49(34-45(46)37-21-13-10-14-22-37)52(3,4)54(7,8)53(50,5)6/h9-35H,1-8H3
InChIKeyIFDRWMCUMAIMRH-UHFFFAOYSA-N
XLogP15.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.01
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[3-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177084420
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177269868
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[3-[10-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169284348
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 121477343
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167324147
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine (CID 177269838) is N-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4cc5c(cc4-c4ccccc4)C(C)(C)C(C)(C)C5(C)C)c3)cc21.
What is the InChIKey of N-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?
The InChIKey is IFDRWMCUMAIMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H51N/c1-51(2)47-28-16-15-27-43(47)44-30-29-42(33-48(44)51)55(40-25-17-23-38(31-40)36-19-11-9-12-20-36)41-26-18-24-39(32-41)46-35-50-49(34-45(46)37-21-13-10-14-22-37)52(3,4)54(7,8)53(50,5)6/h9-35H,1-8H3.
What are the key properties of N-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?
N-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine has a molecular weight of 714.01 g/mol, XLogP of 15.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 177269838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).