(E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine

C70H61N — CID 143207709

IUPAC(E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(C)(C)c8cc(/C=C/CCN)ccc8-9)ccc6-7)ccc4-5)c3)cc21
InChIInChI=1S/C70H61N/c1-67(2)59-18-10-9-17-51(59)53-27-20-45(36-61(53)67)43-15-13-16-44(35-43)46-21-28-55-56-30-24-49(40-64(56)69(5,6)63(55)37-46)50-25-32-58-57-31-23-48(39-65(57)70(7,8)66(58)41-50)47-22-29-54-52-26-19-42(14-11-12-33-71)34-60(52)68(3,4)62(54)38-47/h9-11,13-32,34-41H,12,33,71H2,1-8H3/b14-11+
InChIKeyBQZMLRFZDBGLKR-SDNWHVSQSA-N
MW916.26 g/mol
LogP17.94
Rot. Bonds7

About (E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine

(E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine (PubChem CID 143207709) has the molecular formula C70H61N and a molecular weight of 916.26 g/mol. Its IUPAC name is (E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine
PubChem CID143207709
Molecular FormulaC70H61N
Molecular Weight916.26 g/mol
Exact Mass915.48
IUPAC Name(E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(C)(C)c8cc(/C=C/CCN)ccc8-9)ccc6-7)ccc4-5)c3)cc21
InChIInChI=1S/C70H61N/c1-67(2)59-18-10-9-17-51(59)53-27-20-45(36-61(53)67)43-15-13-16-44(35-43)46-21-28-55-56-30-24-49(40-64(56)69(5,6)63(55)37-46)50-25-32-58-57-31-23-48(39-65(57)70(7,8)66(58)41-50)47-22-29-54-52-26-19-42(14-11-12-33-71)34-60(52)68(3,4)62(54)38-47/h9-11,13-32,34-41H,12,33,71H2,1-8H3/b14-11+
InChIKeyBQZMLRFZDBGLKR-SDNWHVSQSA-N
XLogP17.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.26
LogP ≤ 517.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine with MolForge

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Related Compounds

4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile
CID 170800688
[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]methanamine
CID 145110816
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
9,9-dimethyl-2-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217045
4-(9,9-dimethylfluoren-2-yl)but-3-enamide
CID 170798912
CID 140720702
CID 140720702
4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline
CID 72540036
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
CID 140710753
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198

Frequently Asked Questions

What is the IUPAC name of (E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine?
The IUPAC name of (E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine (CID 143207709) is (E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine.
What is the SMILES notation for (E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine?
The canonical SMILES for (E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(C)(C)c8cc(/C=C/CCN)ccc8-9)ccc6-7)ccc4-5)c3)cc21.
What is the InChIKey of (E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine?
The InChIKey is BQZMLRFZDBGLKR-SDNWHVSQSA-N. The full InChI is InChI=1S/C70H61N/c1-67(2)59-18-10-9-17-51(59)53-27-20-45(36-61(53)67)43-15-13-16-44(35-43)46-21-28-55-56-30-24-49(40-64(56)69(5,6)63(55)37-46)50-25-32-58-57-31-23-48(39-65(57)70(7,8)66(58)41-50)47-22-29-54-52-26-19-42(14-11-12-33-71)34-60(52)68(3,4)62(54)38-47/h9-11,13-32,34-41H,12,33,71H2,1-8H3/b14-11+.
What are the key properties of (E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine?
(E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine has a molecular weight of 916.26 g/mol, XLogP of 17.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine is sourced from PubChem (CID 143207709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).