5-[17-(6-benzo[h]quinolin-2-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)-10,10-dimethyl-14-naphthalen-2-yl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,19-nonaenyl]-13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene

C145H92N6 — CID 126612598

IUPAC5-[17-(6-benzo[h]quinolin-2-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)-10,10-dimethyl-14-naphthalen-2-yl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,19-nonaenyl]-13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene
SMILESCC1(C)c2cc(-c3cccc4ccc5c(-c6ccc(-c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)cc6)c6ccc7ccccc7c6nc5c34)ccc2-c2cc3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4c(c(-c5ccc6ccccc6c5)c3cc21)=CC(c1ccc2c(-c3ccc5ccccc5c3)c3cc(-c5ccc6ccc7ccccc7c6n5)ccc3c(-c3ccc5ccccc5c3)c2c1)CC=4
InChIInChI=1S/C145H92N6/c1-145(2)127-84-105(112-39-23-32-94-65-76-120-135(119-75-64-93-28-16-18-38-114(93)141(119)149-142(120)139(94)112)96-52-44-90(45-53-96)91-46-57-98(58-47-91)143-147-130-40-19-21-42-132(130)150(143)110-33-5-3-6-34-110)68-71-115(127)121-85-125-126(86-128(121)145)138(109-63-50-89-26-11-14-31-102(89)80-109)123-82-104(66-72-116(123)134(125)95-54-59-99(60-55-95)144-148-131-41-20-22-43-133(131)151(144)111-35-7-4-8-36-111)103-67-73-117-122(81-103)136(107-61-48-87-24-9-12-29-100(87)78-107)118-74-69-106(83-124(118)137(117)108-62-49-88-25-10-13-30-101(88)79-108)129-77-70-97-56-51-92-27-15-17-37-113(92)140(97)146-129/h3-65,67-86,104H,66H2,1-2H3
InChIKeyCRZOGVFZAUTHHD-UHFFFAOYSA-N
MW1918.37 g/mol
LogP36.72
Rot. Bonds13

About 5-[17-(6-benzo[h]quinolin-2-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)-10,10-dimethyl-14-naphthalen-2-yl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,19-nonaenyl]-13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene

5-[17-(6-benzo[h]quinolin-2-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)-10,10-dimethyl-14-naphthalen-2-yl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,19-nonaenyl]-13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene (PubChem CID 126612598) has the molecular formula C145H92N6 and a molecular weight of 1918.37 g/mol. Its IUPAC name is 5-[17-(6-benzo[h]quinolin-2-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)-10,10-dimethyl-14-naphthalen-2-yl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,19-nonaenyl]-13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene.

Molecular Properties

Compound Name5-[17-(6-benzo[h]quinolin-2-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)-10,10-dimethyl-14-naphthalen-2-yl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,19-nonaenyl]-13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene
PubChem CID126612598
Molecular FormulaC145H92N6
Molecular Weight1918.37 g/mol
Exact Mass1916.74
IUPAC Name5-[17-(6-benzo[h]quinolin-2-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)-10,10-dimethyl-14-naphthalen-2-yl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,19-nonaenyl]-13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene
SMILESCC1(C)c2cc(-c3cccc4ccc5c(-c6ccc(-c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)cc6)c6ccc7ccccc7c6nc5c34)ccc2-c2cc3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4c(c(-c5ccc6ccccc6c5)c3cc21)=CC(c1ccc2c(-c3ccc5ccccc5c3)c3cc(-c5ccc6ccc7ccccc7c6n5)ccc3c(-c3ccc5ccccc5c3)c2c1)CC=4
InChIInChI=1S/C145H92N6/c1-145(2)127-84-105(112-39-23-32-94-65-76-120-135(119-75-64-93-28-16-18-38-114(93)141(119)149-142(120)139(94)112)96-52-44-90(45-53-96)91-46-57-98(58-47-91)143-147-130-40-19-21-42-132(130)150(143)110-33-5-3-6-34-110)68-71-115(127)121-85-125-126(86-128(121)145)138(109-63-50-89-26-11-14-31-102(89)80-109)123-82-104(66-72-116(123)134(125)95-54-59-99(60-55-95)144-148-131-41-20-22-43-133(131)151(144)111-35-7-4-8-36-111)103-67-73-117-122(81-103)136(107-61-48-87-24-9-12-29-100(87)78-107)118-74-69-106(83-124(118)137(117)108-62-49-88-25-10-13-30-101(88)79-108)129-77-70-97-56-51-92-27-15-17-37-113(92)140(97)146-129/h3-65,67-86,104H,66H2,1-2H3
InChIKeyCRZOGVFZAUTHHD-UHFFFAOYSA-N
XLogP36.72
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001918.37
LogP ≤ 536.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[17-(6-benzo[h]quinolin-2-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)-10,10-dimethyl-14-naphthalen-2-yl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,19-nonaenyl]-13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene with MolForge

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Related Compounds

2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1-phenylbenzimidazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;4,9-dinaphthalen-2-yl-2,3-diphenylbenzo[f]benzimidazole;4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;6-phenylpyrido[3,2-f][1,7]phenanthroline
CID 159757937
2-(10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)-1-phenylbenzimidazole
CID 58412005
2-[4-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411797
2-[3-(10,10-dimethyl-14,21-dinaphthalen-2-yl-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)phenyl]-1-phenylbenzimidazole
CID 58411952
2-[4-[10,10-dimethyl-14,21-bis(4-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411779
2-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]-1-phenylbenzimidazole
CID 58411752
2-[4-[10,10-dimethyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411901
1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole
CID 143828997
2-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]-1-phenylbenzimidazole;2-[14,21-di(fluoranthen-3-yl)-10,10-dimethyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]-1-phenylbenzimidazole;2-[10,10-dimethyl-14,21-di(phenanthren-9-yl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]-1-phenylbenzimidazole
CID 162132113
1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828941
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
2-methyl-1-[4-(9-naphthalen-2-yl-10-tetraphenylen-2-ylanthracen-2-yl)phenyl]benzimidazole;1-[4-(9-naphthalen-2-yl-10-tetraphenylen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-(9-phenyl-10-tetraphenylen-2-ylanthracen-2-yl)phenyl]benzimidazole
CID 157224662

Frequently Asked Questions

What is the IUPAC name of 5-[17-(6-benzo[h]quinolin-2-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)-10,10-dimethyl-14-naphthalen-2-yl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,19-nonaenyl]-13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene?
The IUPAC name of 5-[17-(6-benzo[h]quinolin-2-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)-10,10-dimethyl-14-naphthalen-2-yl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,19-nonaenyl]-13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene (CID 126612598) is 5-[17-(6-benzo[h]quinolin-2-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)-10,10-dimethyl-14-naphthalen-2-yl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,19-nonaenyl]-13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene.
What is the SMILES notation for 5-[17-(6-benzo[h]quinolin-2-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)-10,10-dimethyl-14-naphthalen-2-yl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,19-nonaenyl]-13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene?
The canonical SMILES for 5-[17-(6-benzo[h]quinolin-2-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)-10,10-dimethyl-14-naphthalen-2-yl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,19-nonaenyl]-13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene is CC1(C)c2cc(-c3cccc4ccc5c(-c6ccc(-c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)cc6)c6ccc7ccccc7c6nc5c34)ccc2-c2cc3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4c(c(-c5ccc6ccccc6c5)c3cc21)=CC(c1ccc2c(-c3ccc5ccccc5c3)c3cc(-c5ccc6ccc7ccccc7c6n5)ccc3c(-c3ccc5ccccc5c3)c2c1)CC=4.
What is the InChIKey of 5-[17-(6-benzo[h]quinolin-2-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)-10,10-dimethyl-14-naphthalen-2-yl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,19-nonaenyl]-13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene?
The InChIKey is CRZOGVFZAUTHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C145H92N6/c1-145(2)127-84-105(112-39-23-32-94-65-76-120-135(119-75-64-93-28-16-18-38-114(93)141(119)149-142(120)139(94)112)96-52-44-90(45-53-96)91-46-57-98(58-47-91)143-147-130-40-19-21-42-132(130)150(143)110-33-5-3-6-34-110)68-71-115(127)121-85-125-126(86-128(121)145)138(109-63-50-89-26-11-14-31-102(89)80-109)123-82-104(66-72-116(123)134(125)95-54-59-99(60-55-95)144-148-131-41-20-22-43-133(131)151(144)111-35-7-4-8-36-111)103-67-73-117-122(81-103)136(107-61-48-87-24-9-12-29-100(87)78-107)118-74-69-106(83-124(118)137(117)108-62-49-88-25-10-13-30-101(88)79-108)129-77-70-97-56-51-92-27-15-17-37-113(92)140(97)146-129/h3-65,67-86,104H,66H2,1-2H3.
What are the key properties of 5-[17-(6-benzo[h]quinolin-2-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)-10,10-dimethyl-14-naphthalen-2-yl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,19-nonaenyl]-13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene?
5-[17-(6-benzo[h]quinolin-2-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)-10,10-dimethyl-14-naphthalen-2-yl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,19-nonaenyl]-13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene has a molecular weight of 1918.37 g/mol, XLogP of 36.72, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[17-(6-benzo[h]quinolin-2-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)-10,10-dimethyl-14-naphthalen-2-yl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,19-nonaenyl]-13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene is sourced from PubChem (CID 126612598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).