8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine

C58H45N — CID 170373636

IUPAC8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c5ccccc5c3C4(C)C)cc21
InChIInChI=1S/C58H45N/c1-57(2)52-22-14-13-19-46(52)47-33-27-43(36-54(47)57)42-28-34-53-50(35-42)51-37-55(48-20-11-12-21-49(48)56(51)58(53,3)4)59(44-29-23-40(24-30-44)38-15-7-5-8-16-38)45-31-25-41(26-32-45)39-17-9-6-10-18-39/h5-37H,1-4H3
InChIKeyJKPAQYQTKZIWDG-UHFFFAOYSA-N
MW756.01 g/mol
LogP15.92
Rot. Bonds6

About 8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine

8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine (PubChem CID 170373636) has the molecular formula C58H45N and a molecular weight of 756.01 g/mol. Its IUPAC name is 8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine.

Molecular Properties

Compound Name8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine
PubChem CID170373636
Molecular FormulaC58H45N
Molecular Weight756.01 g/mol
Exact Mass755.36
IUPAC Name8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c5ccccc5c3C4(C)C)cc21
InChIInChI=1S/C58H45N/c1-57(2)52-22-14-13-19-46(52)47-33-27-43(36-54(47)57)42-28-34-53-50(35-42)51-37-55(48-20-11-12-21-49(48)56(51)58(53,3)4)59(44-29-23-40(24-30-44)38-15-7-5-8-16-38)45-31-25-41(26-32-45)39-17-9-6-10-18-39/h5-37H,1-4H3
InChIKeyJKPAQYQTKZIWDG-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.01
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine with MolForge

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Related Compounds

11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 170373009
11,11-dimethyl-N,9-diphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine
CID 170372991
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 170218393
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine
CID 168750034
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine
CID 170179875
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine
CID 170372841

Frequently Asked Questions

What is the IUPAC name of 8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine?
The IUPAC name of 8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine (CID 170373636) is 8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine.
What is the SMILES notation for 8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine?
The canonical SMILES for 8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c5ccccc5c3C4(C)C)cc21.
What is the InChIKey of 8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine?
The InChIKey is JKPAQYQTKZIWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N/c1-57(2)52-22-14-13-19-46(52)47-33-27-43(36-54(47)57)42-28-34-53-50(35-42)51-37-55(48-20-11-12-21-49(48)56(51)58(53,3)4)59(44-29-23-40(24-30-44)38-15-7-5-8-16-38)45-31-25-41(26-32-45)39-17-9-6-10-18-39/h5-37H,1-4H3.
What are the key properties of 8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine?
8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine has a molecular weight of 756.01 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine is sourced from PubChem (CID 170373636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).