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

C148H120N6 — CID 139524685

IUPAC4-[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
SMILESCc1cc(-c2nccc3c2ccc2cc(C(C)(C)C)ccc23)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3nccc4c3ccc3cc(C(C)(C)C)ccc34)cc2C)cc(-c2cccc(-c3cc(-c4ccccc4-c4ccc(-c5nccc6c5ccc5cc(C(C)(C)C)ccc56)cc4C)cc(-c4ccccc4-c4ccc(-c5nccc6c5ccc5cc(C(C)(C)C)ccc56)cc4C)c3)c2-c2ccc(-c3ncccn3)cc2)c1
InChIInChI=1S/C148H120N6/c1-89-75-99(140-135-57-41-95-85-109(145(5,6)7)49-61-121(95)131(135)65-71-149-140)45-53-113(89)127-31-21-17-27-117(127)103-79-104(118-28-18-22-32-128(118)114-54-46-100(76-90(114)2)141-136-58-42-96-86-110(146(8,9)10)50-62-122(96)132(136)66-72-150-141)82-107(81-103)125-35-25-36-126(139(125)93-37-39-94(40-38-93)144-153-69-26-70-154-144)108-83-105(119-29-19-23-33-129(119)115-55-47-101(77-91(115)3)142-137-59-43-97-87-111(147(11,12)13)51-63-123(97)133(137)67-73-151-142)80-106(84-108)120-30-20-24-34-130(120)116-56-48-102(78-92(116)4)143-138-60-44-98-88-112(148(14,15)16)52-64-124(98)134(138)68-74-152-143/h17-88H,1-16H3
InChIKeyUNSYRLFUEHEGDA-UHFFFAOYSA-N
MW1982.63 g/mol
LogP40.38
Rot. Bonds16

About 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

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 (PubChem CID 139524685) has the molecular formula C148H120N6 and a molecular weight of 1982.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID139524685
Molecular FormulaC148H120N6
Molecular Weight1982.63 g/mol
Exact Mass1980.96
IUPAC Name4-[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
SMILESCc1cc(-c2nccc3c2ccc2cc(C(C)(C)C)ccc23)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3nccc4c3ccc3cc(C(C)(C)C)ccc34)cc2C)cc(-c2cccc(-c3cc(-c4ccccc4-c4ccc(-c5nccc6c5ccc5cc(C(C)(C)C)ccc56)cc4C)cc(-c4ccccc4-c4ccc(-c5nccc6c5ccc5cc(C(C)(C)C)ccc56)cc4C)c3)c2-c2ccc(-c3ncccn3)cc2)c1
InChIInChI=1S/C148H120N6/c1-89-75-99(140-135-57-41-95-85-109(145(5,6)7)49-61-121(95)131(135)65-71-149-140)45-53-113(89)127-31-21-17-27-117(127)103-79-104(118-28-18-22-32-128(118)114-54-46-100(76-90(114)2)141-136-58-42-96-86-110(146(8,9)10)50-62-122(96)132(136)66-72-150-141)82-107(81-103)125-35-25-36-126(139(125)93-37-39-94(40-38-93)144-153-69-26-70-154-144)108-83-105(119-29-19-23-33-129(119)115-55-47-101(77-91(115)3)142-137-59-43-97-87-111(147(11,12)13)51-63-123(97)133(137)67-73-151-142)80-106(84-108)120-30-20-24-34-130(120)116-56-48-102(78-92(116)4)143-138-60-44-98-88-112(148(14,15)16)52-64-124(98)134(138)68-74-152-143/h17-88H,1-16H3
InChIKeyUNSYRLFUEHEGDA-UHFFFAOYSA-N
XLogP40.38
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001982.63
LogP ≤ 540.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-methylphenyl]-8-tert-butylnaphtho[2,1-f]isoquinoline
CID 134191404
6-tert-butyl-1-[3-[7-(6-tert-butylisoquinolin-1-yl)naphthalen-1-yl]phenyl]isoquinoline
CID 155643331
8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline
CID 155619475
9-tert-butyl-4-(4-phenylphenyl)benzo[f]isoquinoline
CID 118566740
8-tert-butyl-4-dibenzofuran-4-ylbenzo[f]isoquinoline
CID 118566739
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
4-[4-(3-isocyanophenyl)-3-methylphenyl]benzo[f]isoquinoline
CID 140693665
2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine
CID 140838950
6-(3-tert-butyl-5-methylphenyl)-7-azapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,12,15,17,19,21-undecaene
CID 171417966
8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline
CID 118595089
4-(4-anthracen-9-ylphenyl)benzo[f]isoquinoline
CID 157309790
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2nccc3c2ccc2cc(C(C)(C)C)ccc23)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3nccc4c3ccc3cc(C(C)(C)C)ccc34)cc2C)cc(-c2cccc(-c3cc(-c4ccccc4-c4ccc(-c5nccc6c5ccc5cc(C(C)(C)C)ccc56)cc4C)cc(-c4ccccc4-c4ccc(-c5nccc6c5ccc5cc(C(C)(C)C)ccc56)cc4C)c3)c2-c2ccc(-c3ncccn3)cc2)c1.
What is the InChIKey of 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?
The InChIKey is UNSYRLFUEHEGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C148H120N6/c1-89-75-99(140-135-57-41-95-85-109(145(5,6)7)49-61-121(95)131(135)65-71-149-140)45-53-113(89)127-31-21-17-27-117(127)103-79-104(118-28-18-22-32-128(118)114-54-46-100(76-90(114)2)141-136-58-42-96-86-110(146(8,9)10)50-62-122(96)132(136)66-72-150-141)82-107(81-103)125-35-25-36-126(139(125)93-37-39-94(40-38-93)144-153-69-26-70-154-144)108-83-105(119-29-19-23-33-129(119)115-55-47-101(77-91(115)3)142-137-59-43-97-87-111(147(11,12)13)51-63-123(97)133(137)67-73-151-142)80-106(84-108)120-30-20-24-34-130(120)116-56-48-102(78-92(116)4)143-138-60-44-98-88-112(148(14,15)16)52-64-124(98)134(138)68-74-152-143/h17-88H,1-16H3.
What are the key properties of 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?
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 has a molecular weight of 1982.63 g/mol, XLogP of 40.38, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139524685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).