5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene

C110H74 — CID 161228304

IUPAC5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene
SMILESCC1(C)c2cccc(-c3cccc(-c4c5ccccc5c(-c5cc6ccc7ccccc7c6c6ccccc56)c5ccccc45)c3)c2-c2c1ccc1ccccc21.CC1(C)c2cccc(-c3cccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)c3)c2-c2c1ccc1ccccc21
InChIInChI=1S/C57H38.C53H36/c1-57(2)50-28-14-27-42(56(50)55-41-20-6-4-16-36(41)31-32-51(55)57)37-17-13-18-38(33-37)53-45-23-9-11-25-47(45)54(48-26-12-10-24-46(48)53)49-34-39-30-29-35-15-3-5-19-40(35)52(39)44-22-8-7-21-43(44)49;1-53(2)47-28-14-27-39(52(47)51-38-20-6-3-15-33(38)29-30-48(51)53)34-17-13-18-36(31-34)49-42-23-9-11-25-44(42)50(45-26-12-10-24-43(45)49)46-32-35-16-4-5-19-37(35)40-21-7-8-22-41(40)46/h3-34H,1-2H3;3-32H,1-2H3
InChIKeyUYKLIAGTLLVFEQ-UHFFFAOYSA-N
MW1395.80 g/mol
LogP30.67
Rot. Bonds6

About 5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene

5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene (PubChem CID 161228304) has the molecular formula C110H74 and a molecular weight of 1395.80 g/mol. Its IUPAC name is 5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene.

Molecular Properties

Compound Name5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene
PubChem CID161228304
Molecular FormulaC110H74
Molecular Weight1395.80 g/mol
Exact Mass1394.58
IUPAC Name5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene
SMILESCC1(C)c2cccc(-c3cccc(-c4c5ccccc5c(-c5cc6ccc7ccccc7c6c6ccccc56)c5ccccc45)c3)c2-c2c1ccc1ccccc21.CC1(C)c2cccc(-c3cccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)c3)c2-c2c1ccc1ccccc21
InChIInChI=1S/C57H38.C53H36/c1-57(2)50-28-14-27-42(56(50)55-41-20-6-4-16-36(41)31-32-51(55)57)37-17-13-18-38(33-37)53-45-23-9-11-25-47(45)54(48-26-12-10-24-46(48)53)49-34-39-30-29-35-15-3-5-19-40(35)52(39)44-22-8-7-21-43(44)49;1-53(2)47-28-14-27-39(52(47)51-38-20-6-3-15-33(38)29-30-48(51)53)34-17-13-18-36(31-34)49-42-23-9-11-25-44(42)50(45-26-12-10-24-43(45)49)46-32-35-16-4-5-19-37(35)40-21-7-8-22-41(40)46/h3-34H,1-2H3;3-32H,1-2H3
InChIKeyUYKLIAGTLLVFEQ-UHFFFAOYSA-N
XLogP30.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001395.80
LogP ≤ 530.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene with MolForge

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Related Compounds

7,7-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724375
21,21-dimethyl-16-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140724547
7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140725023
7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 140724765
4-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;4-[3-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;7,7-dimethyl-11-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 159882490
2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 157414315
7,7-dimethyl-8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140724382
21,21-dimethyl-16-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140724892
7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724252
5-[10-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;11,11-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[a]fluorene
CID 158676912
7,7-dimethyl-10-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene;7,7-dimethyl-10-[4-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 161066800
4-[10-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 140724335

Frequently Asked Questions

What is the IUPAC name of 5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene?
The IUPAC name of 5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene (CID 161228304) is 5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene.
What is the SMILES notation for 5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene?
The canonical SMILES for 5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene is CC1(C)c2cccc(-c3cccc(-c4c5ccccc5c(-c5cc6ccc7ccccc7c6c6ccccc56)c5ccccc45)c3)c2-c2c1ccc1ccccc21.CC1(C)c2cccc(-c3cccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)c3)c2-c2c1ccc1ccccc21.
What is the InChIKey of 5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene?
The InChIKey is UYKLIAGTLLVFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38.C53H36/c1-57(2)50-28-14-27-42(56(50)55-41-20-6-4-16-36(41)31-32-51(55)57)37-17-13-18-38(33-37)53-45-23-9-11-25-47(45)54(48-26-12-10-24-46(48)53)49-34-39-30-29-35-15-3-5-19-40(35)52(39)44-22-8-7-21-43(44)49;1-53(2)47-28-14-27-39(52(47)51-38-20-6-3-15-33(38)29-30-48(51)53)34-17-13-18-36(31-34)49-42-23-9-11-25-44(42)50(45-26-12-10-24-43(45)49)46-32-35-16-4-5-19-37(35)40-21-7-8-22-41(40)46/h3-34H,1-2H3;3-32H,1-2H3.
What are the key properties of 5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene?
5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene has a molecular weight of 1395.80 g/mol, XLogP of 30.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene is sourced from PubChem (CID 161228304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).