4-[8-[9-[3-[8-[4,5-bis(9,9,10-trimethylacridin-4-yl)anthracen-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-10-methyl-9-phenylacridin-4-yl]-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine

C162H118N4 — CID 155334933

About 4-[8-[9-[3-[8-[4,5-bis(9,9,10-trimethylacridin-4-yl)anthracen-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-10-methyl-9-phenylacridin-4-yl]-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine

4-[8-[9-[3-[8-[4,5-bis(9,9,10-trimethylacridin-4-yl)anthracen-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-10-methyl-9-phenylacridin-4-yl]-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine (PubChem CID 155334933) has the molecular formula C162H118N4 and a molecular weight of 2120.75 g/mol. Its IUPAC name is 4-[8-[9-[3-[8-[4,5-bis(9,9,10-trimethylacridin-4-yl)anthracen-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-10-methyl-9-phenylacridin-4-yl]-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine.

Molecular Properties

• Compound Name: 4-[8-[9-[3-[8-[4,5-bis(9,9,10-trimethylacridin-4-yl)anthracen-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-10-methyl-9-phenylacridin-4-yl]-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine
• PubChem CID: 155334933
• Molecular Formula: C162H118N4
• Molecular Weight: 2120.75 g/mol
• Exact Mass: 2118.94
• IUPAC Name: 4-[8-[9-[3-[8-[4,5-bis(9,9,10-trimethylacridin-4-yl)anthracen-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-10-methyl-9-phenylacridin-4-yl]-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine
• SMILES: CN1c2ccccc2C(C)(C)c2cccc(-c3cccc4c(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccc(-c7cccc(C8(c9ccccc9)c9ccccc9N(C)c9c(-c%10cccc%11c(-c%12cccc%13c%12C(c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12-%13)c%12cccc(-c%13cccc%14c%13N(C)c%13ccccc%13C%14(c%13ccccc%13)c%13ccccc%13)c%12cc%10%11)cccc98)c7)cc5-6)c5cccc(-c6cccc7c6N(C)c6ccccc6C7(C)C)c5cc34)c21
• InChI: InChI=1S/C162H118N4/c1-157(2)137-85-32-36-93-145(137)163(5)153-124(78-47-89-141(153)157)113-68-41-72-118-130(113)101-131-114(125-79-48-90-142-154(125)164(6)146-94-37-33-86-138(146)158(142,3)4)69-42-73-119(131)150(118)129-83-46-77-123-134-100-104(97-98-136(134)162(152(123)129,110-62-26-14-27-63-110)111-64-28-15-29-65-111)103-51-40-66-112(99-103)160(107-56-20-11-21-57-107)140-88-35-39-96-148(140)166(8)156-127(81-50-92-144(156)160)116-71-44-75-121-133(116)102-132-115(126-80-49-91-143-155(126)165(7)147-95-38-34-87-139(147)159(143,105-52-16-9-17-53-105)106-54-18-10-19-55-106)70-43-74-120(132)149(121)128-82-45-76-122-117-67-30-31-84-135(117)161(151(122)128,108-58-22-12-23-59-108)109-60-24-13-25-61-109/h9-102H,1-8H3
• InChIKey: KBNYECPGVGPIDH-UHFFFAOYSA-N
• XLogP: 40.44
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2120.75
LogP ≤ 5	40.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[8-[9-[3-[8-[4,5-bis(9,9,10-trimethylacridin-4-yl)anthracen-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-10-methyl-9-phenylacridin-4-yl]-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine?

The IUPAC name of 4-[8-[9-[3-[8-[4,5-bis(9,9,10-trimethylacridin-4-yl)anthracen-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-10-methyl-9-phenylacridin-4-yl]-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine (CID 155334933) is 4-[8-[9-[3-[8-[4,5-bis(9,9,10-trimethylacridin-4-yl)anthracen-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-10-methyl-9-phenylacridin-4-yl]-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine.

What is the SMILES notation for 4-[8-[9-[3-[8-[4,5-bis(9,9,10-trimethylacridin-4-yl)anthracen-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-10-methyl-9-phenylacridin-4-yl]-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine?

The canonical SMILES for 4-[8-[9-[3-[8-[4,5-bis(9,9,10-trimethylacridin-4-yl)anthracen-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-10-methyl-9-phenylacridin-4-yl]-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine is CN1c2ccccc2C(C)(C)c2cccc(-c3cccc4c(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccc(-c7cccc(C8(c9ccccc9)c9ccccc9N(C)c9c(-c%10cccc%11c(-c%12cccc%13c%12C(c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12-%13)c%12cccc(-c%13cccc%14c%13N(C)c%13ccccc%13C%14(c%13ccccc%13)c%13ccccc%13)c%12cc%10%11)cccc98)c7)cc5-6)c5cccc(-c6cccc7c6N(C)c6ccccc6C7(C)C)c5cc34)c21.

What is the InChIKey of 4-[8-[9-[3-[8-[4,5-bis(9,9,10-trimethylacridin-4-yl)anthracen-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-10-methyl-9-phenylacridin-4-yl]-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine?

The InChIKey is KBNYECPGVGPIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C162H118N4/c1-157(2)137-85-32-36-93-145(137)163(5)153-124(78-47-89-141(153)157)113-68-41-72-118-130(113)101-131-114(125-79-48-90-142-154(125)164(6)146-94-37-33-86-138(146)158(142,3)4)69-42-73-119(131)150(118)129-83-46-77-123-134-100-104(97-98-136(134)162(152(123)129,110-62-26-14-27-63-110)111-64-28-15-29-65-111)103-51-40-66-112(99-103)160(107-56-20-11-21-57-107)140-88-35-39-96-148(140)166(8)156-127(81-50-92-144(156)160)116-71-44-75-121-133(116)102-132-115(126-80-49-91-143-155(126)165(7)147-95-38-34-87-139(147)159(143,105-52-16-9-17-53-105)106-54-18-10-19-55-106)70-43-74-120(132)149(121)128-82-45-76-122-117-67-30-31-84-135(117)161(151(122)128,108-58-22-12-23-59-108)109-60-24-13-25-61-109/h9-102H,1-8H3.

What are the key properties of 4-[8-[9-[3-[8-[4,5-bis(9,9,10-trimethylacridin-4-yl)anthracen-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-10-methyl-9-phenylacridin-4-yl]-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine?

4-[8-[9-[3-[8-[4,5-bis(9,9,10-trimethylacridin-4-yl)anthracen-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-10-methyl-9-phenylacridin-4-yl]-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine has a molecular weight of 2120.75 g/mol, XLogP of 40.44, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[9-[3-[8-[4,5-bis(9,9,10-trimethylacridin-4-yl)anthracen-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-10-methyl-9-phenylacridin-4-yl]-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine is sourced from PubChem (CID 155334933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).