7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene

C128H102N4 — CID 146411992

IUPAC7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
SMILESCCC1(CC)c2cc(-c3ccc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2nc3c(nc21)-c1ccc(-c2ccc(-c4ccccc4)cc2-c2cccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccc7c(c6)C(CC)(CC)c6nc8c(nc6-7)C(CC)(CC)c6cc(-c7c9ccccc9c(-c9ccccc9)c9ccccc79)ccc6-8)c5c4)c2)cc1C3(CC)CC
InChIInChI=1S/C128H102N4/c1-9-125(10-2)109-75-89(93-64-57-85(79-39-22-17-23-40-79)72-106(93)81-43-26-19-27-44-81)60-67-102(109)117-121(125)130-118-103-68-61-90(76-110(103)126(11-3,12-4)122(118)129-117)94-65-58-86(80-41-24-18-25-42-80)73-107(94)88-50-38-49-84(71-88)87-59-66-101-108(74-87)116(100-56-37-34-53-97(100)114(101)83-47-30-21-31-48-83)92-63-70-105-112(78-92)128(15-7,16-8)124-120(105)132-123-119(131-124)104-69-62-91(77-111(104)127(123,13-5)14-6)115-98-54-35-32-51-95(98)113(82-45-28-20-29-46-82)96-52-33-36-55-99(96)115/h17-78H,9-16H2,1-8H3
InChIKeyGYVLJWYQZDJZQX-UHFFFAOYSA-N
MW1696.25 g/mol
LogP34.56
Rot. Bonds19

About 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene

7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene (PubChem CID 146411992) has the molecular formula C128H102N4 and a molecular weight of 1696.25 g/mol. Its IUPAC name is 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene.

Molecular Properties

Compound Name7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
PubChem CID146411992
Molecular FormulaC128H102N4
Molecular Weight1696.25 g/mol
Exact Mass1694.81
IUPAC Name7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
SMILESCCC1(CC)c2cc(-c3ccc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2nc3c(nc21)-c1ccc(-c2ccc(-c4ccccc4)cc2-c2cccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccc7c(c6)C(CC)(CC)c6nc8c(nc6-7)C(CC)(CC)c6cc(-c7c9ccccc9c(-c9ccccc9)c9ccccc79)ccc6-8)c5c4)c2)cc1C3(CC)CC
InChIInChI=1S/C128H102N4/c1-9-125(10-2)109-75-89(93-64-57-85(79-39-22-17-23-40-79)72-106(93)81-43-26-19-27-44-81)60-67-102(109)117-121(125)130-118-103-68-61-90(76-110(103)126(11-3,12-4)122(118)129-117)94-65-58-86(80-41-24-18-25-42-80)73-107(94)88-50-38-49-84(71-88)87-59-66-101-108(74-87)116(100-56-37-34-53-97(100)114(101)83-47-30-21-31-48-83)92-63-70-105-112(78-92)128(15-7,16-8)124-120(105)132-123-119(131-124)104-69-62-91(77-111(104)127(123,13-5)14-6)115-98-54-35-32-51-95(98)113(82-45-28-20-29-46-82)96-52-33-36-55-99(96)115/h17-78H,9-16H2,1-8H3
InChIKeyGYVLJWYQZDJZQX-UHFFFAOYSA-N
XLogP34.56
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001696.25
LogP ≤ 534.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene with MolForge

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Related Compounds

9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
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CID 58875734
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
9-phenyl-10-[5-phenyl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837443
2-naphthalen-1-yl-9,10-bis(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 157235562
9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837402
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;9-[2-(2-phenylphenyl)phenyl]-10-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 159977577
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
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
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
9,10-bis(3,5-diphenylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracene
CID 158006720

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?
The IUPAC name of 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene (CID 146411992) is 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene.
What is the SMILES notation for 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?
The canonical SMILES for 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene is CCC1(CC)c2cc(-c3ccc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2nc3c(nc21)-c1ccc(-c2ccc(-c4ccccc4)cc2-c2cccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccc7c(c6)C(CC)(CC)c6nc8c(nc6-7)C(CC)(CC)c6cc(-c7c9ccccc9c(-c9ccccc9)c9ccccc79)ccc6-8)c5c4)c2)cc1C3(CC)CC.
What is the InChIKey of 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?
The InChIKey is GYVLJWYQZDJZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H102N4/c1-9-125(10-2)109-75-89(93-64-57-85(79-39-22-17-23-40-79)72-106(93)81-43-26-19-27-44-81)60-67-102(109)117-121(125)130-118-103-68-61-90(76-110(103)126(11-3,12-4)122(118)129-117)94-65-58-86(80-41-24-18-25-42-80)73-107(94)88-50-38-49-84(71-88)87-59-66-101-108(74-87)116(100-56-37-34-53-97(100)114(101)83-47-30-21-31-48-83)92-63-70-105-112(78-92)128(15-7,16-8)124-120(105)132-123-119(131-124)104-69-62-91(77-111(104)127(123,13-5)14-6)115-98-54-35-32-51-95(98)113(82-45-28-20-29-46-82)96-52-33-36-55-99(96)115/h17-78H,9-16H2,1-8H3.
What are the key properties of 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?
7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene has a molecular weight of 1696.25 g/mol, XLogP of 34.56, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene is sourced from PubChem (CID 146411992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).