8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline

C104H72N6 — CID 139524681

IUPAC8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline
SMILESc1cnc(-c2ccc(-c3c(-c4cc(-c5ccccc5-c5ccc6c(c5)CCc5cccnc5-6)cc(-c5ccccc5-c5ccc6c(c5)CCc5cccnc5-6)c4)cccc3-c3cc(-c4ccccc4-c4ccc5c(c4)CCc4cccnc4-5)cc(-c4ccccc4-c4ccc5c(c4)CCc4cccnc4-5)c3)cc2)nc1
InChIInChI=1S/C104H72N6/c1-5-23-89(85(19-1)71-41-45-95-75(55-71)37-31-66-15-10-49-105-100(66)95)79-59-80(90-24-6-2-20-86(90)72-42-46-96-76(56-72)38-32-67-16-11-50-106-101(67)96)62-83(61-79)93-27-9-28-94(99(93)65-29-35-70(36-30-65)104-109-53-14-54-110-104)84-63-81(91-25-7-3-21-87(91)73-43-47-97-77(57-73)39-33-68-17-12-51-107-102(68)97)60-82(64-84)92-26-8-4-22-88(92)74-44-48-98-78(58-74)40-34-69-18-13-52-108-103(69)98/h1-30,35-36,41-64H,31-34,37-40H2
InChIKeyNFJAQNNGHRAGGY-UHFFFAOYSA-N
MW1405.76 g/mol
LogP25.12
Rot. Bonds12

About 8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline

8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline (PubChem CID 139524681) has the molecular formula C104H72N6 and a molecular weight of 1405.76 g/mol. Its IUPAC name is 8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline.

Molecular Properties

Compound Name8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline
PubChem CID139524681
Molecular FormulaC104H72N6
Molecular Weight1405.76 g/mol
Exact Mass1404.58
IUPAC Name8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline
SMILESc1cnc(-c2ccc(-c3c(-c4cc(-c5ccccc5-c5ccc6c(c5)CCc5cccnc5-6)cc(-c5ccccc5-c5ccc6c(c5)CCc5cccnc5-6)c4)cccc3-c3cc(-c4ccccc4-c4ccc5c(c4)CCc4cccnc4-5)cc(-c4ccccc4-c4ccc5c(c4)CCc4cccnc4-5)c3)cc2)nc1
InChIInChI=1S/C104H72N6/c1-5-23-89(85(19-1)71-41-45-95-75(55-71)37-31-66-15-10-49-105-100(66)95)79-59-80(90-24-6-2-20-86(90)72-42-46-96-76(56-72)38-32-67-16-11-50-106-101(67)96)62-83(61-79)93-27-9-28-94(99(93)65-29-35-70(36-30-65)104-109-53-14-54-110-104)84-63-81(91-25-7-3-21-87(91)73-43-47-97-77(57-73)39-33-68-17-12-51-107-102(68)97)60-82(64-84)92-26-8-4-22-88(92)74-44-48-98-78(58-74)40-34-69-18-13-52-108-103(69)98/h1-30,35-36,41-64H,31-34,37-40H2
InChIKeyNFJAQNNGHRAGGY-UHFFFAOYSA-N
XLogP25.12
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001405.76
LogP ≤ 525.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline with MolForge

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Related Compounds

8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+))
CID 153448990
14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene
CID 145132313
4-[4-[2-[3-[3-[3,5-bis[2-[4-(8-tert-butylbenzo[f]isoquinolin-4-yl)-2-methylphenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(8-tert-butylbenzo[f]isoquinolin-4-yl)-2-methylphenyl]phenyl]phenyl]phenyl]-3-methylphenyl]-8-tert-butylbenzo[f]isoquinoline
CID 139524685
7-methyl-5,6-dihydrobenzo[h]quinoline
CID 126542796
2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene
CID 14812683
2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine
CID 170366009
5,6-dihydro-1,7-phenanthroline
CID 69016308
5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one
CID 86715526
2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 153434753
2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine
CID 134378286
1-[4-[2-[3-[3-[3,5-bis[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-[4-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-2H-benzimidazol-3-ium-2-ide
CID 153434586
13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene chloride
CID 126479926

Frequently Asked Questions

What is the IUPAC name of 8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline?
The IUPAC name of 8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline (CID 139524681) is 8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline.
What is the SMILES notation for 8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline?
The canonical SMILES for 8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline is c1cnc(-c2ccc(-c3c(-c4cc(-c5ccccc5-c5ccc6c(c5)CCc5cccnc5-6)cc(-c5ccccc5-c5ccc6c(c5)CCc5cccnc5-6)c4)cccc3-c3cc(-c4ccccc4-c4ccc5c(c4)CCc4cccnc4-5)cc(-c4ccccc4-c4ccc5c(c4)CCc4cccnc4-5)c3)cc2)nc1.
What is the InChIKey of 8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline?
The InChIKey is NFJAQNNGHRAGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H72N6/c1-5-23-89(85(19-1)71-41-45-95-75(55-71)37-31-66-15-10-49-105-100(66)95)79-59-80(90-24-6-2-20-86(90)72-42-46-96-76(56-72)38-32-67-16-11-50-106-101(67)96)62-83(61-79)93-27-9-28-94(99(93)65-29-35-70(36-30-65)104-109-53-14-54-110-104)84-63-81(91-25-7-3-21-87(91)73-43-47-97-77(57-73)39-33-68-17-12-51-107-102(68)97)60-82(64-84)92-26-8-4-22-88(92)74-44-48-98-78(58-74)40-34-69-18-13-52-108-103(69)98/h1-30,35-36,41-64H,31-34,37-40H2.
What are the key properties of 8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline?
8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline has a molecular weight of 1405.76 g/mol, XLogP of 25.12, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline is sourced from PubChem (CID 139524681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).