N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine

C58H45N — CID 177080169

IUPACN-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cc5ccccc5cc3C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C58H45N/c1-3-57(4-2)53-27-17-16-26-49(53)50-34-32-48(39-55(50)57)59(46-30-28-41(29-31-46)40-18-8-5-9-19-40)47-33-35-54-52(38-47)51-36-42-20-14-15-21-43(42)37-56(51)58(54,44-22-10-6-11-23-44)45-24-12-7-13-25-45/h5-39H,3-4H2,1-2H3
InChIKeyXVDWMSMXXOQINO-UHFFFAOYSA-N
MW756.01 g/mol
LogP15.43
Rot. Bonds8

About N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine

N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine (PubChem CID 177080169) has the molecular formula C58H45N and a molecular weight of 756.01 g/mol. Its IUPAC name is N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine.

Molecular Properties

Compound NameN-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
PubChem CID177080169
Molecular FormulaC58H45N
Molecular Weight756.01 g/mol
Exact Mass755.36
IUPAC NameN-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cc5ccccc5cc3C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C58H45N/c1-3-57(4-2)53-27-17-16-26-49(53)50-34-32-48(39-55(50)57)59(46-30-28-41(29-31-46)40-18-8-5-9-19-40)47-33-35-54-52(38-47)51-36-42-20-14-15-21-43(42)37-56(51)58(54,44-22-10-6-11-23-44)45-24-12-7-13-25-45/h5-39H,3-4H2,1-2H3
InChIKeyXVDWMSMXXOQINO-UHFFFAOYSA-N
XLogP15.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.01
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine
CID 177080129
N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine
CID 177080014
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
CID 138601435
11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 118145832
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)fluoren-2-amine
CID 126548455
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine?
The IUPAC name of N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine (CID 177080169) is N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine.
What is the SMILES notation for N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine?
The canonical SMILES for N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine is CCC1(CC)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cc5ccccc5cc3C4(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine?
The InChIKey is XVDWMSMXXOQINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N/c1-3-57(4-2)53-27-17-16-26-49(53)50-34-32-48(39-55(50)57)59(46-30-28-41(29-31-46)40-18-8-5-9-19-40)47-33-35-54-52(38-47)51-36-42-20-14-15-21-43(42)37-56(51)58(54,44-22-10-6-11-23-44)45-24-12-7-13-25-45/h5-39H,3-4H2,1-2H3.
What are the key properties of N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine?
N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine has a molecular weight of 756.01 g/mol, XLogP of 15.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine is sourced from PubChem (CID 177080169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).