4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene

C72H56Br2 — CID 89280570

IUPAC4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4cc(C5(C)c6cc(Br)ccc6-c6ccc(Br)cc65)ccc4c3-c3ccccc3)c2)cc1
InChIInChI=1S/C72H56Br2/c1-70(2,3)50-25-21-43(22-26-50)47-37-48(44-23-27-51(28-24-44)71(4,5)6)39-49(38-47)55-35-36-61-67-58(55)19-14-20-60(67)68-65(45-15-10-8-11-16-45)59-32-29-52(40-62(59)66(69(61)68)46-17-12-9-13-18-46)72(7)63-41-53(73)30-33-56(63)57-34-31-54(74)42-64(57)72/h8-42H,1-7H3
InChIKeyROYIBBYWBQZKOX-UHFFFAOYSA-N
MW1081.05 g/mol
LogP21.43
Rot. Bonds6

About 4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene

4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene (PubChem CID 89280570) has the molecular formula C72H56Br2 and a molecular weight of 1081.05 g/mol. Its IUPAC name is 4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene
PubChem CID89280570
Molecular FormulaC72H56Br2
Molecular Weight1081.05 g/mol
Exact Mass1078.27
IUPAC Name4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4cc(C5(C)c6cc(Br)ccc6-c6ccc(Br)cc65)ccc4c3-c3ccccc3)c2)cc1
InChIInChI=1S/C72H56Br2/c1-70(2,3)50-25-21-43(22-26-50)47-37-48(44-23-27-51(28-24-44)71(4,5)6)39-49(38-47)55-35-36-61-67-58(55)19-14-20-60(67)68-65(45-15-10-8-11-16-45)59-32-29-52(40-62(59)66(69(61)68)46-17-12-9-13-18-46)72(7)63-41-53(73)30-33-56(63)57-34-31-54(74)42-64(57)72/h8-42H,1-7H3
InChIKeyROYIBBYWBQZKOX-UHFFFAOYSA-N
XLogP21.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.05
LogP ≤ 521.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 89280568
9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene
CID 158119939
3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58988802
3-bromo-7,12-bis(4-tert-butylphenyl)benzo[k]fluoranthene
CID 67349188
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988852
3,9-dibromo-7,12-diphenylbenzo[k]fluoranthene
CID 71071926
9-tert-butyl-3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene
CID 58390207
N,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline
CID 145350869
9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
CID 22895266
3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 58250850
3-bromo-9,10-bis(4-tert-butylphenyl)phenanthrene
CID 142739231

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene?
The IUPAC name of 4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene (CID 89280570) is 4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene.
What is the SMILES notation for 4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene?
The canonical SMILES for 4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene is CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4cc(C5(C)c6cc(Br)ccc6-c6ccc(Br)cc65)ccc4c3-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene?
The InChIKey is ROYIBBYWBQZKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56Br2/c1-70(2,3)50-25-21-43(22-26-50)47-37-48(44-23-27-51(28-24-44)71(4,5)6)39-49(38-47)55-35-36-61-67-58(55)19-14-20-60(67)68-65(45-15-10-8-11-16-45)59-32-29-52(40-62(59)66(69(61)68)46-17-12-9-13-18-46)72(7)63-41-53(73)30-33-56(63)57-34-31-54(74)42-64(57)72/h8-42H,1-7H3.
What are the key properties of 4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene?
4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene has a molecular weight of 1081.05 g/mol, XLogP of 21.43, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene is sourced from PubChem (CID 89280570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).