bis(10,10-diethyl-14,21-diphenyl-7-(12-phenylchrysen-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene);10,10-dimethyl-14,21-diphenyl-7-(9-phenylpyren-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene

C179H126 — CID 161229352

IUPACbis(10,10-diethyl-14,21-diphenyl-7-(12-phenylchrysen-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene);10,10-dimethyl-14,21-diphenyl-7-(9-phenylpyren-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
SMILESCC1(C)c2cc(-c3cc4cccc5c(-c6ccccc6)cc6cccc3c6c45)ccc2-c2cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc21.CCC1(CC)c2cc(-c3cc4c5ccccc5c(-c5ccccc5)cc4c4ccccc34)ccc2-c2cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc21.CCC1(CC)c2cc(-c3cc4c5ccccc5c(-c5ccccc5)cc4c4ccccc34)ccc2-c2cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc21
InChIInChI=1S/2C61H44.C57H38/c2*1-3-61(4-2)57-34-42(51-36-53-45-28-16-14-26-43(45)50(39-20-8-5-9-21-39)35-52(53)46-29-17-15-27-44(46)51)32-33-47(57)54-37-55-56(38-58(54)61)60(41-24-12-7-13-25-41)49-31-19-18-30-48(49)59(55)40-22-10-6-11-23-40;1-57(2)51-32-38(47-31-40-23-14-26-44-46(35-16-6-3-7-17-35)30-39-22-15-27-45(47)56(39)55(40)44)28-29-41(51)48-33-49-50(34-52(48)57)54(37-20-10-5-11-21-37)43-25-13-12-24-42(43)53(49)36-18-8-4-9-19-36/h2*5-38H,3-4H2,1-2H3;3-34H,1-2H3
InChIKeyUYNVGZVGBDCYEI-UHFFFAOYSA-N
MW2276.98 g/mol
LogP50.28
Rot. Bonds16

About bis(10,10-diethyl-14,21-diphenyl-7-(12-phenylchrysen-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene);10,10-dimethyl-14,21-diphenyl-7-(9-phenylpyren-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene

bis(10,10-diethyl-14,21-diphenyl-7-(12-phenylchrysen-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene);10,10-dimethyl-14,21-diphenyl-7-(9-phenylpyren-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene (PubChem CID 161229352) has the molecular formula C179H126 and a molecular weight of 2276.98 g/mol. Its IUPAC name is bis(10,10-diethyl-14,21-diphenyl-7-(12-phenylchrysen-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene);10,10-dimethyl-14,21-diphenyl-7-(9-phenylpyren-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene.

Molecular Properties

Compound Namebis(10,10-diethyl-14,21-diphenyl-7-(12-phenylchrysen-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene);10,10-dimethyl-14,21-diphenyl-7-(9-phenylpyren-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
PubChem CID161229352
Molecular FormulaC179H126
Molecular Weight2276.98 g/mol
Exact Mass2274.99
IUPAC Namebis(10,10-diethyl-14,21-diphenyl-7-(12-phenylchrysen-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene);10,10-dimethyl-14,21-diphenyl-7-(9-phenylpyren-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
SMILESCC1(C)c2cc(-c3cc4cccc5c(-c6ccccc6)cc6cccc3c6c45)ccc2-c2cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc21.CCC1(CC)c2cc(-c3cc4c5ccccc5c(-c5ccccc5)cc4c4ccccc34)ccc2-c2cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc21.CCC1(CC)c2cc(-c3cc4c5ccccc5c(-c5ccccc5)cc4c4ccccc34)ccc2-c2cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc21
InChIInChI=1S/2C61H44.C57H38/c2*1-3-61(4-2)57-34-42(51-36-53-45-28-16-14-26-43(45)50(39-20-8-5-9-21-39)35-52(53)46-29-17-15-27-44(46)51)32-33-47(57)54-37-55-56(38-58(54)61)60(41-24-12-7-13-25-41)49-31-19-18-30-48(49)59(55)40-22-10-6-11-23-40;1-57(2)51-32-38(47-31-40-23-14-26-44-46(35-16-6-3-7-17-35)30-39-22-15-27-45(47)56(39)55(40)44)28-29-41(51)48-33-49-50(34-52(48)57)54(37-20-10-5-11-21-37)43-25-13-12-24-42(43)53(49)36-18-8-4-9-19-36/h2*5-38H,3-4H2,1-2H3;3-34H,1-2H3
InChIKeyUYNVGZVGBDCYEI-UHFFFAOYSA-N
XLogP50.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms179
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002276.98
LogP ≤ 550.28
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 bis(10,10-diethyl-14,21-diphenyl-7-(12-phenylchrysen-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene);10,10-dimethyl-14,21-diphenyl-7-(9-phenylpyren-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene 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

23,23-diethyl-20-(10-phenylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 123175409
10,10-dimethyl-7-phenanthren-9-yl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7,14,21-tris(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 160690391
10,10-dimethyl-7-perylen-3-yl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 58175309
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
CID 20822281
10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(2-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 58175484
2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;2-(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene
CID 161191738
10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene
CID 140863269
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175465
2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9,10-diphenylanthracene
CID 58251720
23,23-dimethyl-19-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 140934962
10,10-dimethyl-17-perylen-3-yl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175515
10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene;10,10-dimethyl-7,14,21-trinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;2-naphthalen-2-yl-10-phenanthren-2-yl-9-phenylanthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 159814559

Frequently Asked Questions

What is the IUPAC name of bis(10,10-diethyl-14,21-diphenyl-7-(12-phenylchrysen-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene);10,10-dimethyl-14,21-diphenyl-7-(9-phenylpyren-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?
The IUPAC name of bis(10,10-diethyl-14,21-diphenyl-7-(12-phenylchrysen-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene);10,10-dimethyl-14,21-diphenyl-7-(9-phenylpyren-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene (CID 161229352) is bis(10,10-diethyl-14,21-diphenyl-7-(12-phenylchrysen-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene);10,10-dimethyl-14,21-diphenyl-7-(9-phenylpyren-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene.
What is the SMILES notation for bis(10,10-diethyl-14,21-diphenyl-7-(12-phenylchrysen-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene);10,10-dimethyl-14,21-diphenyl-7-(9-phenylpyren-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?
The canonical SMILES for bis(10,10-diethyl-14,21-diphenyl-7-(12-phenylchrysen-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene);10,10-dimethyl-14,21-diphenyl-7-(9-phenylpyren-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene is CC1(C)c2cc(-c3cc4cccc5c(-c6ccccc6)cc6cccc3c6c45)ccc2-c2cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc21.CCC1(CC)c2cc(-c3cc4c5ccccc5c(-c5ccccc5)cc4c4ccccc34)ccc2-c2cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc21.CCC1(CC)c2cc(-c3cc4c5ccccc5c(-c5ccccc5)cc4c4ccccc34)ccc2-c2cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc21.
What is the InChIKey of bis(10,10-diethyl-14,21-diphenyl-7-(12-phenylchrysen-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene);10,10-dimethyl-14,21-diphenyl-7-(9-phenylpyren-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?
The InChIKey is UYNVGZVGBDCYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C61H44.C57H38/c2*1-3-61(4-2)57-34-42(51-36-53-45-28-16-14-26-43(45)50(39-20-8-5-9-21-39)35-52(53)46-29-17-15-27-44(46)51)32-33-47(57)54-37-55-56(38-58(54)61)60(41-24-12-7-13-25-41)49-31-19-18-30-48(49)59(55)40-22-10-6-11-23-40;1-57(2)51-32-38(47-31-40-23-14-26-44-46(35-16-6-3-7-17-35)30-39-22-15-27-45(47)56(39)55(40)44)28-29-41(51)48-33-49-50(34-52(48)57)54(37-20-10-5-11-21-37)43-25-13-12-24-42(43)53(49)36-18-8-4-9-19-36/h2*5-38H,3-4H2,1-2H3;3-34H,1-2H3.
What are the key properties of bis(10,10-diethyl-14,21-diphenyl-7-(12-phenylchrysen-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene);10,10-dimethyl-14,21-diphenyl-7-(9-phenylpyren-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?
bis(10,10-diethyl-14,21-diphenyl-7-(12-phenylchrysen-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene);10,10-dimethyl-14,21-diphenyl-7-(9-phenylpyren-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene has a molecular weight of 2276.98 g/mol, XLogP of 50.28, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(10,10-diethyl-14,21-diphenyl-7-(12-phenylchrysen-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene);10,10-dimethyl-14,21-diphenyl-7-(9-phenylpyren-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene is sourced from PubChem (CID 161229352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).