3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine

C68H47ClN2 — CID 146601773

IUPAC3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine
SMILESClc1cccc(N(c2cccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1
InChIInChI=1S/C68H47ClN2/c69-52-31-20-34-54(45-52)71(65-42-22-39-61-59-38-17-19-41-63(59)68(66(61)65,50-27-10-3-11-28-50)51-29-12-4-13-30-51)56-36-21-35-55(46-56)70(53-32-14-5-15-33-53)57-43-44-60-58-37-16-18-40-62(58)67(64(60)47-57,48-23-6-1-7-24-48)49-25-8-2-9-26-49/h1-47H
InChIKeyVOJFWMZTSSFUJE-UHFFFAOYSA-N
MW927.59 g/mol
LogP18.01
Rot. Bonds10

About 3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine

3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine (PubChem CID 146601773) has the molecular formula C68H47ClN2 and a molecular weight of 927.59 g/mol. Its IUPAC name is 3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine
PubChem CID146601773
Molecular FormulaC68H47ClN2
Molecular Weight927.59 g/mol
Exact Mass926.34
IUPAC Name3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine
SMILESClc1cccc(N(c2cccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1
InChIInChI=1S/C68H47ClN2/c69-52-31-20-34-54(45-52)71(65-42-22-39-61-59-38-17-19-41-63(59)68(66(61)65,50-27-10-3-11-28-50)51-29-12-4-13-30-51)56-36-21-35-55(46-56)70(53-32-14-5-15-33-53)57-43-44-60-58-37-16-18-40-62(58)67(64(60)47-57,48-23-6-1-7-24-48)49-25-8-2-9-26-49/h1-47H
InChIKeyVOJFWMZTSSFUJE-UHFFFAOYSA-N
XLogP18.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.59
LogP ≤ 518.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine with MolForge

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Related Compounds

N-(3-chlorophenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90154262
N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
CID 139762369
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(3-phenylphenyl)phenyl]fluoren-1-amine;9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-1-amine;9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 161362577
3-N-(9,9-diphenylfluoren-3-yl)-1-N,1-N-diphenyl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-1-yl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 161236726
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
2-chloro-11-N',11-N',17-N',17-N'-tetraphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130263577
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285751
9,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 121464349
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
CID 121381614

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine?
The IUPAC name of 3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine (CID 146601773) is 3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine is Clc1cccc(N(c2cccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1.
What is the InChIKey of 3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine?
The InChIKey is VOJFWMZTSSFUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47ClN2/c69-52-31-20-34-54(45-52)71(65-42-22-39-61-59-38-17-19-41-63(59)68(66(61)65,50-27-10-3-11-28-50)51-29-12-4-13-30-51)56-36-21-35-55(46-56)70(53-32-14-5-15-33-53)57-43-44-60-58-37-16-18-40-62(58)67(64(60)47-57,48-23-6-1-7-24-48)49-25-8-2-9-26-49/h1-47H.
What are the key properties of 3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine?
3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine has a molecular weight of 927.59 g/mol, XLogP of 18.01, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chlorophenyl)-3-N-(9,9-diphenylfluoren-1-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N-phenylbenzene-1,3-diamine is sourced from PubChem (CID 146601773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).