N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine

C58H45N — CID 170373587

IUPACN-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3cc(-c5ccc(-c6ccccc6)cc5)c5ccccc5c3C4(C)C)cc21
InChIInChI=1S/C58H45N/c1-57(2)51-23-14-13-21-46(51)47-35-34-44(36-53(47)57)59(43-32-30-41(31-33-43)39-18-9-6-10-19-39)54-25-15-24-52-55(54)50-37-49(45-20-11-12-22-48(45)56(50)58(52,3)4)42-28-26-40(27-29-42)38-16-7-5-8-17-38/h5-37H,1-4H3
InChIKeySYYTWDLQWPFXHN-UHFFFAOYSA-N
MW756.01 g/mol
LogP15.92
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine

N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine (PubChem CID 170373587) has the molecular formula C58H45N and a molecular weight of 756.01 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine
PubChem CID170373587
Molecular FormulaC58H45N
Molecular Weight756.01 g/mol
Exact Mass755.36
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3cc(-c5ccc(-c6ccccc6)cc5)c5ccccc5c3C4(C)C)cc21
InChIInChI=1S/C58H45N/c1-57(2)51-23-14-13-21-46(51)47-35-34-44(36-53(47)57)59(43-32-30-41(31-33-43)39-18-9-6-10-19-39)54-25-15-24-52-55(54)50-37-49(45-20-11-12-22-48(45)56(50)58(52,3)4)42-28-26-40(27-29-42)38-16-7-5-8-17-38/h5-37H,1-4H3
InChIKeySYYTWDLQWPFXHN-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

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170372918
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764
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
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
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215470
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170372753
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167285595
N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170372912
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine (CID 170373587) is N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3cc(-c5ccc(-c6ccccc6)cc5)c5ccccc5c3C4(C)C)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine?
The InChIKey is SYYTWDLQWPFXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N/c1-57(2)51-23-14-13-21-46(51)47-35-34-44(36-53(47)57)59(43-32-30-41(31-33-43)39-18-9-6-10-19-39)54-25-15-24-52-55(54)50-37-49(45-20-11-12-22-48(45)56(50)58(52,3)4)42-28-26-40(27-29-42)38-16-7-5-8-17-38/h5-37H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine?
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-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 N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine is sourced from PubChem (CID 170373587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).