N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine

C66H43N — CID 170373487

IUPACN-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc3c(c2)-c2c(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc4ccccc4c2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C66H43N/c1-5-21-44(22-6-1)45-37-40-60-56(41-45)63-62(42-46-23-13-14-30-51(46)64(63)65(60,47-24-7-2-8-25-47)48-26-9-3-10-27-48)67(49-28-11-4-12-29-49)50-38-39-55-54-33-17-20-36-59(54)66(61(55)43-50)57-34-18-15-31-52(57)53-32-16-19-35-58(53)66/h1-43H
InChIKeyZKHQXWSMBRWKBS-UHFFFAOYSA-N
MW850.08 g/mol
LogP16.68
Rot. Bonds6

About N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine

N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 170373487) has the molecular formula C66H43N and a molecular weight of 850.08 g/mol. Its IUPAC name is N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID170373487
Molecular FormulaC66H43N
Molecular Weight850.08 g/mol
Exact Mass849.34
IUPAC NameN-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc3c(c2)-c2c(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc4ccccc4c2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C66H43N/c1-5-21-44(22-6-1)45-37-40-60-56(41-45)63-62(42-46-23-13-14-30-51(46)64(63)65(60,47-24-7-2-8-25-47)48-26-9-3-10-27-48)67(49-28-11-4-12-29-49)50-38-39-55-54-33-17-20-36-59(54)66(61(55)43-50)57-34-18-15-31-52(57)53-32-16-19-35-58(53)66/h1-43H
InChIKeyZKHQXWSMBRWKBS-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

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Related Compounds

6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine
CID 168775197
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine
CID 170373098
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929479
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
CID 164929364
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303586
6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine
CID 168775270
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine
CID 164929337
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304763
N-(9,9-diphenylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine (CID 170373487) is N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccc3c(c2)-c2c(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc4ccccc4c2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is ZKHQXWSMBRWKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N/c1-5-21-44(22-6-1)45-37-40-60-56(41-45)63-62(42-46-23-13-14-30-51(46)64(63)65(60,47-24-7-2-8-25-47)48-26-9-3-10-27-48)67(49-28-11-4-12-29-49)50-38-39-55-54-33-17-20-36-59(54)66(61(55)43-50)57-34-18-15-31-52(57)53-32-16-19-35-58(53)66/h1-43H.
What are the key properties of N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine?
N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-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-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 170373487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).