3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline

C148H111N — CID 159021758

IUPAC3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline
SMILESC=Cc1ccc(-c2ccc3c4c(ccc(-c5ccc(CCCC)cc5)c24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.C=Cc1ccc(-c2ccc3c4c(ccc(-c5ccc(N(C)C)cc5)c24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.C=Cc1ccc(-c2ccc3c4c(ccc(-c5ccccc5CCCC)c24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/2C50H38.C48H35N/c1-3-5-16-34-17-12-13-22-38(34)42-30-32-44-48-43(31-29-39(47(42)48)35-27-25-33(4-2)26-28-35)49-45(36-18-8-6-9-19-36)40-23-14-15-24-41(40)46(50(44)49)37-20-10-7-11-21-37;1-3-5-14-34-23-27-36(28-24-34)40-30-32-44-48-43(31-29-39(47(40)48)35-25-21-33(4-2)22-26-35)49-45(37-15-8-6-9-16-37)41-19-12-13-20-42(41)46(50(44)49)38-17-10-7-11-18-38;1-4-31-19-21-32(22-20-31)37-27-29-41-46-42(30-28-38(45(37)46)33-23-25-36(26-24-33)49(2)3)48-44(35-15-9-6-10-16-35)40-18-12-11-17-39(40)43(47(41)48)34-13-7-5-8-14-34/h4,6-15,17-32H,2-3,5,16H2,1H3;4,6-13,15-32H,2-3,5,14H2,1H3;4-30H,1H2,2-3H3
InChIKeyJTUBSYPKVOWYRB-UHFFFAOYSA-N
MW1903.52 g/mol
LogP41.61
Rot. Bonds22

About 3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline

3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline (PubChem CID 159021758) has the molecular formula C148H111N and a molecular weight of 1903.52 g/mol. Its IUPAC name is 3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline
PubChem CID159021758
Molecular FormulaC148H111N
Molecular Weight1903.52 g/mol
Exact Mass1901.87
IUPAC Name3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline
SMILESC=Cc1ccc(-c2ccc3c4c(ccc(-c5ccc(CCCC)cc5)c24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.C=Cc1ccc(-c2ccc3c4c(ccc(-c5ccc(N(C)C)cc5)c24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.C=Cc1ccc(-c2ccc3c4c(ccc(-c5ccccc5CCCC)c24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/2C50H38.C48H35N/c1-3-5-16-34-17-12-13-22-38(34)42-30-32-44-48-43(31-29-39(47(42)48)35-27-25-33(4-2)26-28-35)49-45(36-18-8-6-9-19-36)40-23-14-15-24-41(40)46(50(44)49)37-20-10-7-11-21-37;1-3-5-14-34-23-27-36(28-24-34)40-30-32-44-48-43(31-29-39(47(40)48)35-25-21-33(4-2)22-26-35)49-45(37-15-8-6-9-16-37)41-19-12-13-20-42(41)46(50(44)49)38-17-10-7-11-18-38;1-4-31-19-21-32(22-20-31)37-27-29-41-46-42(30-28-38(45(37)46)33-23-25-36(26-24-33)49(2)3)48-44(35-15-9-6-10-16-35)40-18-12-11-17-39(40)43(47(41)48)34-13-7-5-8-14-34/h4,6-15,17-32H,2-3,5,16H2,1H3;4,6-13,15-32H,2-3,5,14H2,1H3;4-30H,1H2,2-3H3
InChIKeyJTUBSYPKVOWYRB-UHFFFAOYSA-N
XLogP41.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001903.52
LogP ≤ 541.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline with MolForge

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Related Compounds

4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline
CID 58731426
3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene
CID 58731422
3-(4-ethenylphenyl)-4-(3-ethoxyphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 58731431
1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene
CID 158873338
1-ethenyl-4-(2-propylphenyl)benzene
CID 90768054
1-(2-butylphenyl)-3-(4-butylphenyl)-2-methylbenzene
CID 156826942
N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline
CID 139426917
1-(4-bromophenyl)-4-[4-(4-ethenylphenyl)butyl]naphthalene
CID 142742547
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
10-[3,5-bis(4-pentylphenyl)phenyl]-9-[4-(2,2-diphenylethenyl)phenyl]-1-phenylanthracene
CID 90778796
[5-(4-butylphenyl)naphthalen-1-yl]methanol
CID 154221033
2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]-3-phenylbenzene
CID 19007996

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline?
The IUPAC name of 3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline (CID 159021758) is 3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline.
What is the SMILES notation for 3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline?
The canonical SMILES for 3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline is C=Cc1ccc(-c2ccc3c4c(ccc(-c5ccc(CCCC)cc5)c24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.C=Cc1ccc(-c2ccc3c4c(ccc(-c5ccc(N(C)C)cc5)c24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.C=Cc1ccc(-c2ccc3c4c(ccc(-c5ccccc5CCCC)c24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline?
The InChIKey is JTUBSYPKVOWYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H38.C48H35N/c1-3-5-16-34-17-12-13-22-38(34)42-30-32-44-48-43(31-29-39(47(42)48)35-27-25-33(4-2)26-28-35)49-45(36-18-8-6-9-19-36)40-23-14-15-24-41(40)46(50(44)49)37-20-10-7-11-21-37;1-3-5-14-34-23-27-36(28-24-34)40-30-32-44-48-43(31-29-39(47(40)48)35-25-21-33(4-2)22-26-35)49-45(37-15-8-6-9-16-37)41-19-12-13-20-42(41)46(50(44)49)38-17-10-7-11-18-38;1-4-31-19-21-32(22-20-31)37-27-29-41-46-42(30-28-38(45(37)46)33-23-25-36(26-24-33)49(2)3)48-44(35-15-9-6-10-16-35)40-18-12-11-17-39(40)43(47(41)48)34-13-7-5-8-14-34/h4,6-15,17-32H,2-3,5,16H2,1H3;4,6-13,15-32H,2-3,5,14H2,1H3;4-30H,1H2,2-3H3.
What are the key properties of 3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline?
3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline has a molecular weight of 1903.52 g/mol, XLogP of 41.61, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline is sourced from PubChem (CID 159021758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).