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

C159H108 — CID 158676912

IUPAC5-[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
SMILESCC1(C)c2c(-c3ccc(-c4c5ccccc5c(-c5cc6ccc7ccccc7c6c6ccccc56)c5ccccc45)cc3)cccc2-c2ccc3ccccc3c21.CC1(C)c2c(-c3ccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)cc3)cccc2-c2ccc3ccccc3c21.CC1(C)c2c(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)cccc2-c2ccc3ccccc3c21
InChIInChI=1S/C57H38.C53H36.C49H34/c1-57(2)55-42(24-13-25-49(55)50-33-32-36-15-4-6-17-41(36)56(50)57)37-26-29-38(30-27-37)52-45-20-9-11-22-47(45)54(48-23-12-10-21-46(48)52)51-34-39-31-28-35-14-3-5-16-40(35)53(39)44-19-8-7-18-43(44)51;1-53(2)51-39(24-13-25-46(51)47-31-30-33-14-3-6-17-38(33)52(47)53)34-26-28-35(29-27-34)49-42-20-9-11-22-44(42)50(45-23-12-10-21-43(45)49)48-32-36-15-4-5-16-37(36)40-18-7-8-19-41(40)48;1-49(2)47-37(22-12-24-43(47)44-30-29-32-14-4-6-17-36(32)48(44)49)33-25-27-34(28-26-33)45-39-18-7-9-20-41(39)46(42-21-10-8-19-40(42)45)38-23-11-15-31-13-3-5-16-35(31)38/h3-34H,1-2H3;3-32H,1-2H3;3-30H,1-2H3
InChIKeyIEQFOJRTGPVNHJ-UHFFFAOYSA-N
MW2018.61 g/mol
LogP44.28
Rot. Bonds9

About 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

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 (PubChem CID 158676912) has the molecular formula C159H108 and a molecular weight of 2018.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID158676912
Molecular FormulaC159H108
Molecular Weight2018.61 g/mol
Exact Mass2016.85
IUPAC Name5-[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
SMILESCC1(C)c2c(-c3ccc(-c4c5ccccc5c(-c5cc6ccc7ccccc7c6c6ccccc56)c5ccccc45)cc3)cccc2-c2ccc3ccccc3c21.CC1(C)c2c(-c3ccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)cc3)cccc2-c2ccc3ccccc3c21.CC1(C)c2c(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)cccc2-c2ccc3ccccc3c21
InChIInChI=1S/C57H38.C53H36.C49H34/c1-57(2)55-42(24-13-25-49(55)50-33-32-36-15-4-6-17-41(36)56(50)57)37-26-29-38(30-27-37)52-45-20-9-11-22-47(45)54(48-23-12-10-21-46(48)52)51-34-39-31-28-35-14-3-5-16-40(35)53(39)44-19-8-7-18-43(44)51;1-53(2)51-39(24-13-25-46(51)47-31-30-33-14-3-6-17-38(33)52(47)53)34-26-28-35(29-27-34)49-42-20-9-11-22-44(42)50(45-23-12-10-21-43(45)49)48-32-36-15-4-5-16-37(36)40-18-7-8-19-41(40)48;1-49(2)47-37(22-12-24-43(47)44-30-29-32-14-4-6-17-36(32)48(44)49)33-25-27-34(28-26-33)45-39-18-7-9-20-41(39)46(42-21-10-8-19-40(42)45)38-23-11-15-31-13-3-5-16-35(31)38/h3-34H,1-2H3;3-32H,1-2H3;3-30H,1-2H3
InChIKeyIEQFOJRTGPVNHJ-UHFFFAOYSA-N
XLogP44.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002018.61
LogP ≤ 544.28
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-[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 with MolForge

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Related Compounds

11,11-dimethyl-10-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-10-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[a]fluorene
CID 157498925
11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
CID 144802961
11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
CID 140724696
25,25-dimethyl-20-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene
CID 140725746
11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene
CID 144583230
25,25-dimethyl-20-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene
CID 140725341
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
7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 140724149
9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160608667
9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-3-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;4-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;9-phenyl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 159751343
11,11-dimethyl-9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]benzo[a]fluorene
CID 163596374
14,14-dimethyl-12-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 130189452

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2c(-c3ccc(-c4c5ccccc5c(-c5cc6ccc7ccccc7c6c6ccccc56)c5ccccc45)cc3)cccc2-c2ccc3ccccc3c21.CC1(C)c2c(-c3ccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)cc3)cccc2-c2ccc3ccccc3c21.CC1(C)c2c(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)cccc2-c2ccc3ccccc3c21.
What is the InChIKey of 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?
The InChIKey is IEQFOJRTGPVNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38.C53H36.C49H34/c1-57(2)55-42(24-13-25-49(55)50-33-32-36-15-4-6-17-41(36)56(50)57)37-26-29-38(30-27-37)52-45-20-9-11-22-47(45)54(48-23-12-10-21-46(48)52)51-34-39-31-28-35-14-3-5-16-40(35)53(39)44-19-8-7-18-43(44)51;1-53(2)51-39(24-13-25-46(51)47-31-30-33-14-3-6-17-38(33)52(47)53)34-26-28-35(29-27-34)49-42-20-9-11-22-44(42)50(45-23-12-10-21-43(45)49)48-32-36-15-4-5-16-37(36)40-18-7-8-19-41(40)48;1-49(2)47-37(22-12-24-43(47)44-30-29-32-14-4-6-17-36(32)48(44)49)33-25-27-34(28-26-33)45-39-18-7-9-20-41(39)46(42-21-10-8-19-40(42)45)38-23-11-15-31-13-3-5-16-35(31)38/h3-34H,1-2H3;3-32H,1-2H3;3-30H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2018.61 g/mol, XLogP of 44.28, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158676912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).