N-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine

C66H43N — CID 169280693

IUPACN-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2c3c(c4ccccc4c2N(c2ccccc2)c2ccc4c(c2)C2(c5ccccc5-c5ccccc52)c2ccccc2-4)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C66H43N/c1-5-23-44(24-6-1)61-62-55-36-18-22-40-59(55)65(45-25-7-2-8-26-45,46-27-9-3-10-28-46)63(62)53-34-13-14-35-54(53)64(61)67(47-29-11-4-12-30-47)48-41-42-52-51-33-17-21-39-58(51)66(60(52)43-48)56-37-19-15-31-49(56)50-32-16-20-38-57(50)66/h1-43H
InChIKeyAKNRFZYPAGMZBD-UHFFFAOYSA-N
MW850.08 g/mol
LogP16.68
Rot. Bonds6

About N-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine

N-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 169280693) has the molecular formula C66H43N and a molecular weight of 850.08 g/mol. Its IUPAC name is N-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID169280693
Molecular FormulaC66H43N
Molecular Weight850.08 g/mol
Exact Mass849.34
IUPAC NameN-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2c3c(c4ccccc4c2N(c2ccccc2)c2ccc4c(c2)C2(c5ccccc5-c5ccccc52)c2ccccc2-4)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C66H43N/c1-5-23-44(24-6-1)61-62-55-36-18-22-40-59(55)65(45-25-7-2-8-26-45,46-27-9-3-10-28-46)63(62)53-34-13-14-35-54(53)64(61)67(47-29-11-4-12-30-47)48-41-42-52-51-33-17-21-39-58(51)66(60(52)43-48)56-37-19-15-31-49(56)50-32-16-20-38-57(50)66/h1-43H
InChIKeyAKNRFZYPAGMZBD-UHFFFAOYSA-N
XLogP16.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.08
LogP ≤ 516.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine
CID 169280630
N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303553
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine
CID 169280376
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine
CID 169280346
N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304168
10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304182
10-phenyl-N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304163
CID 171402038
CID 171402038
N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304340
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine
CID 170373487
11,11-dimethyl-6-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280476

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine (CID 169280693) is N-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2c3c(c4ccccc4c2N(c2ccccc2)c2ccc4c(c2)C2(c5ccccc5-c5ccccc52)c2ccccc2-4)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is AKNRFZYPAGMZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N/c1-5-23-44(24-6-1)61-62-55-36-18-22-40-59(55)65(45-25-7-2-8-26-45,46-27-9-3-10-28-46)63(62)53-34-13-14-35-54(53)64(61)67(47-29-11-4-12-30-47)48-41-42-52-51-33-17-21-39-58(51)66(60(52)43-48)56-37-19-15-31-49(56)50-32-16-20-38-57(50)66/h1-43H.
What are the key properties of N-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine?
N-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 850.08 g/mol, XLogP of 16.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 169280693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).