1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine

C68H48N2 — CID 138519596

IUPAC1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
SMILESc1ccc(N(c2cccc(N(c3ccccc3)c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c2)c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C68H48N2/c1-5-24-49(25-6-1)67(63-42-17-13-38-59(63)60-39-14-18-43-64(60)67)51-28-21-34-55(46-51)69(53-30-9-3-10-31-53)57-36-23-37-58(48-57)70(54-32-11-4-12-33-54)56-35-22-29-52(47-56)68(50-26-7-2-8-27-50)65-44-19-15-40-61(65)62-41-16-20-45-66(62)68/h1-48H
InChIKeyCTYGYLWQIFDOLR-UHFFFAOYSA-N
MW893.15 g/mol
LogP17.35
Rot. Bonds10

About 1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine

1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine (PubChem CID 138519596) has the molecular formula C68H48N2 and a molecular weight of 893.15 g/mol. Its IUPAC name is 1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
PubChem CID138519596
Molecular FormulaC68H48N2
Molecular Weight893.15 g/mol
Exact Mass892.38
IUPAC Name1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
SMILESc1ccc(N(c2cccc(N(c3ccccc3)c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c2)c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C68H48N2/c1-5-24-49(25-6-1)67(63-42-17-13-38-59(63)60-39-14-18-43-64(60)67)51-28-21-34-55(46-51)69(53-30-9-3-10-31-53)57-36-23-37-58(48-57)70(54-32-11-4-12-33-54)56-35-22-29-52(47-56)68(50-26-7-2-8-27-50)65-44-19-15-40-61(65)62-41-16-20-45-66(62)68/h1-48H
InChIKeyCTYGYLWQIFDOLR-UHFFFAOYSA-N
XLogP17.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.15
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 166679392
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
3,5-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-(9-phenylfluoren-9-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;N-[3-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159530937
3-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 118049427
1-N,3-N-diphenyl-5-(9-phenylfluoren-9-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 130266146
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369
3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 162510737
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
1-N-(9,9-diphenylfluoren-3-yl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096776
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 88867924

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine (CID 138519596) is 1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine is c1ccc(N(c2cccc(N(c3ccccc3)c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c2)c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine?
The InChIKey is CTYGYLWQIFDOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2/c1-5-24-49(25-6-1)67(63-42-17-13-38-59(63)60-39-14-18-43-64(60)67)51-28-21-34-55(46-51)69(53-30-9-3-10-31-53)57-36-23-37-58(48-57)70(54-32-11-4-12-33-54)56-35-22-29-52(47-56)68(50-26-7-2-8-27-50)65-44-19-15-40-61(65)62-41-16-20-45-66(62)68/h1-48H.
What are the key properties of 1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine?
1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine has a molecular weight of 893.15 g/mol, XLogP of 17.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 138519596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).