3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole

C71H47N — CID 126620415

IUPAC3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole
SMILESc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-n4cc(-c5ccc(-c6cccc7ccccc67)cc5)c5cc(-c6ccc(-c7cccc8ccccc78)cc6)ccc54)ccc2-3)cc1
InChIInChI=1S/C71H47N/c1-4-16-48(17-5-1)56-38-41-64-65-42-40-59(46-69(65)71(68(64)45-56,57-22-6-2-7-23-57)58-24-8-3-9-25-58)72-47-67(54-36-34-53(35-37-54)63-29-15-21-51-19-11-13-27-61(51)63)66-44-55(39-43-70(66)72)49-30-32-52(33-31-49)62-28-14-20-50-18-10-12-26-60(50)62/h1-47H
InChIKeyTYMQYHDAYWGDOK-UHFFFAOYSA-N
MW914.16 g/mol
LogP18.64
Rot. Bonds8

About 3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole

3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole (PubChem CID 126620415) has the molecular formula C71H47N and a molecular weight of 914.16 g/mol. Its IUPAC name is 3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole.

Molecular Properties

Compound Name3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole
PubChem CID126620415
Molecular FormulaC71H47N
Molecular Weight914.16 g/mol
Exact Mass913.37
IUPAC Name3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole
SMILESc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-n4cc(-c5ccc(-c6cccc7ccccc67)cc5)c5cc(-c6ccc(-c7cccc8ccccc78)cc6)ccc54)ccc2-3)cc1
InChIInChI=1S/C71H47N/c1-4-16-48(17-5-1)56-38-41-64-65-42-40-59(46-69(65)71(68(64)45-56,57-22-6-2-7-23-57)58-24-8-3-9-25-58)72-47-67(54-36-34-53(35-37-54)63-29-15-21-51-19-11-13-27-61(51)63)66-44-55(39-43-70(66)72)49-30-32-52(33-31-49)62-28-14-20-50-18-10-12-26-60(50)62/h1-47H
InChIKeyTYMQYHDAYWGDOK-UHFFFAOYSA-N
XLogP18.64
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.16
LogP ≤ 518.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole
CID 126620554
9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118475186
9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole
CID 118475183
1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole
CID 160639859
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole
CID 161483514
9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159629958
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
9-(9,9-diphenylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 161164910

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole?
The IUPAC name of 3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole (CID 126620415) is 3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole.
What is the SMILES notation for 3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole?
The canonical SMILES for 3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole is c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-n4cc(-c5ccc(-c6cccc7ccccc67)cc5)c5cc(-c6ccc(-c7cccc8ccccc78)cc6)ccc54)ccc2-3)cc1.
What is the InChIKey of 3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole?
The InChIKey is TYMQYHDAYWGDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47N/c1-4-16-48(17-5-1)56-38-41-64-65-42-40-59(46-69(65)71(68(64)45-56,57-22-6-2-7-23-57)58-24-8-3-9-25-58)72-47-67(54-36-34-53(35-37-54)63-29-15-21-51-19-11-13-27-61(51)63)66-44-55(39-43-70(66)72)49-30-32-52(33-31-49)62-28-14-20-50-18-10-12-26-60(50)62/h1-47H.
What are the key properties of 3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole?
3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole has a molecular weight of 914.16 g/mol, XLogP of 18.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole is sourced from PubChem (CID 126620415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).