5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene

C288H204 — CID 158517485

IUPAC5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc5cc(-c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)c6ccccc6c5c5ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc5cc(-c6cccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)c6)c6ccccc6c5c5ccccc45)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3cc4cc(-c5ccccc5-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5c4c4ccccc34)cc21.c1ccc(-c2ccc(-c3ccc(-c4cc5cc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c6ccccc6c5c5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3-c3cc4cc(-c5ccccc5-c5ccc(-c6ccccc6)cc5)c5ccccc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/3C60H44.2C54H36/c1-59(2)54-25-11-9-21-46(54)48-29-27-39(35-56(48)59)37-15-13-17-41(31-37)52-33-43-34-53(45-20-6-8-24-51(45)58(43)50-23-7-5-19-44(50)52)42-18-14-16-38(32-42)40-28-30-49-47-22-10-12-26-55(47)60(3,4)57(49)36-40;1-59(2)54-27-15-13-23-46(54)48-31-29-37(35-56(48)59)40-17-5-7-19-42(40)52-33-39-34-53(45-22-10-12-26-51(45)58(39)50-25-11-9-21-44(50)52)43-20-8-6-18-41(43)38-30-32-49-47-24-14-16-28-55(47)60(3,4)57(49)36-38;1-59(2)54-19-11-9-15-46(54)48-31-29-41(35-56(48)59)37-21-25-39(26-22-37)52-33-43-34-53(45-14-6-8-18-51(45)58(43)50-17-7-5-13-44(50)52)40-27-23-38(24-28-40)42-30-32-49-47-16-10-12-20-55(47)60(3,4)57(49)36-42;1-3-15-37(16-4-1)39-27-31-41(32-28-39)44-19-7-9-21-46(44)52-35-43-36-53(49-24-12-14-26-51(49)54(43)50-25-13-11-23-48(50)52)47-22-10-8-20-45(47)42-33-29-40(30-34-42)38-17-5-2-6-18-38;1-3-11-37(12-4-1)39-19-23-41(24-20-39)43-27-31-45(32-28-43)52-35-47-36-53(49-16-8-10-18-51(49)54(47)50-17-9-7-15-48(50)52)46-33-29-44(30-34-46)42-25-21-40(22-26-42)38-13-5-2-6-14-38/h3*5-36H,1-4H3;2*1-36H
InChIKeyHLUPLCYGRYWPIS-UHFFFAOYSA-N
MW3664.80 g/mol
LogP79.58
Rot. Bonds24

About 5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene

5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene (PubChem CID 158517485) has the molecular formula C288H204 and a molecular weight of 3664.80 g/mol. Its IUPAC name is 5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene.

Molecular Properties

Compound Name5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene
PubChem CID158517485
Molecular FormulaC288H204
Molecular Weight3664.80 g/mol
Exact Mass3661.60
IUPAC Name5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc5cc(-c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)c6ccccc6c5c5ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc5cc(-c6cccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)c6)c6ccccc6c5c5ccccc45)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3cc4cc(-c5ccccc5-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5c4c4ccccc34)cc21.c1ccc(-c2ccc(-c3ccc(-c4cc5cc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c6ccccc6c5c5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3-c3cc4cc(-c5ccccc5-c5ccc(-c6ccccc6)cc5)c5ccccc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/3C60H44.2C54H36/c1-59(2)54-25-11-9-21-46(54)48-29-27-39(35-56(48)59)37-15-13-17-41(31-37)52-33-43-34-53(45-20-6-8-24-51(45)58(43)50-23-7-5-19-44(50)52)42-18-14-16-38(32-42)40-28-30-49-47-22-10-12-26-55(47)60(3,4)57(49)36-40;1-59(2)54-27-15-13-23-46(54)48-31-29-37(35-56(48)59)40-17-5-7-19-42(40)52-33-39-34-53(45-22-10-12-26-51(45)58(39)50-25-11-9-21-44(50)52)43-20-8-6-18-41(43)38-30-32-49-47-24-14-16-28-55(47)60(3,4)57(49)36-38;1-59(2)54-19-11-9-15-46(54)48-31-29-41(35-56(48)59)37-21-25-39(26-22-37)52-33-43-34-53(45-14-6-8-18-51(45)58(43)50-17-7-5-13-44(50)52)40-27-23-38(24-28-40)42-30-32-49-47-16-10-12-20-55(47)60(3,4)57(49)36-42;1-3-15-37(16-4-1)39-27-31-41(32-28-39)44-19-7-9-21-46(44)52-35-43-36-53(49-24-12-14-26-51(49)54(43)50-25-13-11-23-48(50)52)47-22-10-8-20-45(47)42-33-29-40(30-34-42)38-17-5-2-6-18-38;1-3-11-37(12-4-1)39-19-23-41(24-20-39)43-27-31-45(32-28-43)52-35-47-36-53(49-16-8-10-18-51(49)54(47)50-17-9-7-15-48(50)52)46-33-29-44(30-34-46)42-25-21-40(22-26-42)38-13-5-2-6-14-38/h3*5-36H,1-4H3;2*1-36H
InChIKeyHLUPLCYGRYWPIS-UHFFFAOYSA-N
XLogP79.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms288
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003664.80
LogP ≤ 579.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene with MolForge

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Related Compounds

8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-naphthalen-2-ylbenzo[c]phenanthrene
CID 59282421
5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[4-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene
CID 158997069
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
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 140710800
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
5-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzo[c]phenanthrene;5-[6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]benzo[c]phenanthrene;5-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzo[c]phenanthrene;5-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]benzo[c]phenanthrene;5-[7-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzo[c]phenanthrene;5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene
CID 159950720
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151610
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
5-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 58569078
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
4-[5-(9,9-dimethylfluoren-2-yl)benzo[c]phenanthren-8-yl]benzonitrile
CID 89027078
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021

Frequently Asked Questions

What is the IUPAC name of 5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene?
The IUPAC name of 5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene (CID 158517485) is 5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene.
What is the SMILES notation for 5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene?
The canonical SMILES for 5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc5cc(-c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)c6ccccc6c5c5ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc5cc(-c6cccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)c6)c6ccccc6c5c5ccccc45)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3cc4cc(-c5ccccc5-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5c4c4ccccc34)cc21.c1ccc(-c2ccc(-c3ccc(-c4cc5cc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c6ccccc6c5c5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3-c3cc4cc(-c5ccccc5-c5ccc(-c6ccccc6)cc5)c5ccccc5c4c4ccccc34)cc2)cc1.
What is the InChIKey of 5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene?
The InChIKey is HLUPLCYGRYWPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C60H44.2C54H36/c1-59(2)54-25-11-9-21-46(54)48-29-27-39(35-56(48)59)37-15-13-17-41(31-37)52-33-43-34-53(45-20-6-8-24-51(45)58(43)50-23-7-5-19-44(50)52)42-18-14-16-38(32-42)40-28-30-49-47-22-10-12-26-55(47)60(3,4)57(49)36-40;1-59(2)54-27-15-13-23-46(54)48-31-29-37(35-56(48)59)40-17-5-7-19-42(40)52-33-39-34-53(45-22-10-12-26-51(45)58(39)50-25-11-9-21-44(50)52)43-20-8-6-18-41(43)38-30-32-49-47-24-14-16-28-55(47)60(3,4)57(49)36-38;1-59(2)54-19-11-9-15-46(54)48-31-29-41(35-56(48)59)37-21-25-39(26-22-37)52-33-43-34-53(45-14-6-8-18-51(45)58(43)50-17-7-5-13-44(50)52)40-27-23-38(24-28-40)42-30-32-49-47-16-10-12-20-55(47)60(3,4)57(49)36-42;1-3-15-37(16-4-1)39-27-31-41(32-28-39)44-19-7-9-21-46(44)52-35-43-36-53(49-24-12-14-26-51(49)54(43)50-25-13-11-23-48(50)52)47-22-10-8-20-45(47)42-33-29-40(30-34-42)38-17-5-2-6-18-38;1-3-11-37(12-4-1)39-19-23-41(24-20-39)43-27-31-45(32-28-43)52-35-47-36-53(49-16-8-10-18-51(49)54(47)50-17-9-7-15-48(50)52)46-33-29-44(30-34-46)42-25-21-40(22-26-42)38-13-5-2-6-14-38/h3*5-36H,1-4H3;2*1-36H.
What are the key properties of 5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene?
5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene has a molecular weight of 3664.80 g/mol, XLogP of 79.58, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene is sourced from PubChem (CID 158517485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).