4-[10-(9,9-diphenylfluoren-4-yl)-8-(10-methylspiro[acridine-9,9'-fluorene]-4-yl)anthracen-1-yl]-4'-[4-[4-[4,5-di(spiro[acridine-9,9'-fluorene]-10-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-10-methylspiro[acridine-9,9'-fluorene]

C180H114N4 — CID 155334756

About 4-[10-(9,9-diphenylfluoren-4-yl)-8-(10-methylspiro[acridine-9,9'-fluorene]-4-yl)anthracen-1-yl]-4'-[4-[4-[4,5-di(spiro[acridine-9,9'-fluorene]-10-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-10-methylspiro[acridine-9,9'-fluorene]

4-[10-(9,9-diphenylfluoren-4-yl)-8-(10-methylspiro[acridine-9,9'-fluorene]-4-yl)anthracen-1-yl]-4'-[4-[4-[4,5-di(spiro[acridine-9,9'-fluorene]-10-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-10-methylspiro[acridine-9,9'-fluorene] (PubChem CID 155334756) has the molecular formula C180H114N4 and a molecular weight of 2332.92 g/mol. Its IUPAC name is 4-[10-(9,9-diphenylfluoren-4-yl)-8-(10-methylspiro[acridine-9,9'-fluorene]-4-yl)anthracen-1-yl]-4'-[4-[4-[4,5-di(spiro[acridine-9,9'-fluorene]-10-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-10-methylspiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 4-[10-(9,9-diphenylfluoren-4-yl)-8-(10-methylspiro[acridine-9,9'-fluorene]-4-yl)anthracen-1-yl]-4'-[4-[4-[4,5-di(spiro[acridine-9,9'-fluorene]-10-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-10-methylspiro[acridine-9,9'-fluorene]
• PubChem CID: 155334756
• Molecular Formula: C180H114N4
• Molecular Weight: 2332.92 g/mol
• Exact Mass: 2330.90
• IUPAC Name: 4-[10-(9,9-diphenylfluoren-4-yl)-8-(10-methylspiro[acridine-9,9'-fluorene]-4-yl)anthracen-1-yl]-4'-[4-[4-[4,5-di(spiro[acridine-9,9'-fluorene]-10-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-10-methylspiro[acridine-9,9'-fluorene]
• SMILES: CN1c2ccccc2C2(c3ccccc3-c3ccccc32)c2cccc(-c3cccc4c(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5cccc(-c6cccc7c6N(C)c6ccccc6C76c7ccccc7-c7c(-c8ccc(C9(c%10ccccc%10)c%10ccccc%10-c%10c(-c%11c%12cccc(N%13c%14ccccc%14C%14(c%15ccccc%15-c%15ccccc%15%14)c%14ccccc%14%13)c%12cc%12c(N%13c%14ccccc%14C%14(c%15ccccc%15-c%15ccccc%15%14)c%14ccccc%14%13)cccc%11%12)cccc%109)cc8)cccc76)c5cc34)c21
• InChI: InChI=1S/C180H114N4/c1-181-162-97-36-30-86-149(162)179(144-81-25-16-61-123(144)124-62-17-26-82-145(124)179)158-95-45-73-129(173(158)181)117-67-42-69-125-136(117)109-137-118(68-43-70-126(137)168(125)134-75-47-92-155-171(134)131-63-18-27-83-146(131)175(155,112-51-6-3-7-52-112)113-53-8-4-9-54-113)130-74-46-96-159-174(130)182(2)163-98-37-31-87-150(163)180(159)148-85-29-20-65-133(148)170-116(66-44-94-157(170)180)111-105-107-115(108-106-111)176(114-55-10-5-11-56-114)147-84-28-19-64-132(147)172-135(76-48-93-156(172)176)169-127-71-49-103-160(183-164-99-38-32-88-151(164)177(152-89-33-39-100-165(152)183)140-77-21-12-57-119(140)120-58-13-22-78-141(120)177)138(127)110-139-128(169)72-50-104-161(139)184-166-101-40-34-90-153(166)178(154-91-35-41-102-167(154)184)142-79-23-14-59-121(142)122-60-15-24-80-143(122)178/h3-110H,1-2H3
• InChIKey: VZRPIFWZZOXWQV-UHFFFAOYSA-N
• XLogP: 44.54
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2332.92
LogP ≤ 5	44.54
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-[10-(9,9-diphenylfluoren-4-yl)-8-(10-methylspiro[acridine-9,9'-fluorene]-4-yl)anthracen-1-yl]-4'-[4-[4-[4,5-di(spiro[acridine-9,9'-fluorene]-10-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-10-methylspiro[acridine-9,9'-fluorene]?

The IUPAC name of 4-[10-(9,9-diphenylfluoren-4-yl)-8-(10-methylspiro[acridine-9,9'-fluorene]-4-yl)anthracen-1-yl]-4'-[4-[4-[4,5-di(spiro[acridine-9,9'-fluorene]-10-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-10-methylspiro[acridine-9,9'-fluorene] (CID 155334756) is 4-[10-(9,9-diphenylfluoren-4-yl)-8-(10-methylspiro[acridine-9,9'-fluorene]-4-yl)anthracen-1-yl]-4'-[4-[4-[4,5-di(spiro[acridine-9,9'-fluorene]-10-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-10-methylspiro[acridine-9,9'-fluorene].

What is the SMILES notation for 4-[10-(9,9-diphenylfluoren-4-yl)-8-(10-methylspiro[acridine-9,9'-fluorene]-4-yl)anthracen-1-yl]-4'-[4-[4-[4,5-di(spiro[acridine-9,9'-fluorene]-10-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-10-methylspiro[acridine-9,9'-fluorene]?

The canonical SMILES for 4-[10-(9,9-diphenylfluoren-4-yl)-8-(10-methylspiro[acridine-9,9'-fluorene]-4-yl)anthracen-1-yl]-4'-[4-[4-[4,5-di(spiro[acridine-9,9'-fluorene]-10-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-10-methylspiro[acridine-9,9'-fluorene] is CN1c2ccccc2C2(c3ccccc3-c3ccccc32)c2cccc(-c3cccc4c(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5cccc(-c6cccc7c6N(C)c6ccccc6C76c7ccccc7-c7c(-c8ccc(C9(c%10ccccc%10)c%10ccccc%10-c%10c(-c%11c%12cccc(N%13c%14ccccc%14C%14(c%15ccccc%15-c%15ccccc%15%14)c%14ccccc%14%13)c%12cc%12c(N%13c%14ccccc%14C%14(c%15ccccc%15-c%15ccccc%15%14)c%14ccccc%14%13)cccc%11%12)cccc%109)cc8)cccc76)c5cc34)c21.

What is the InChIKey of 4-[10-(9,9-diphenylfluoren-4-yl)-8-(10-methylspiro[acridine-9,9'-fluorene]-4-yl)anthracen-1-yl]-4'-[4-[4-[4,5-di(spiro[acridine-9,9'-fluorene]-10-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-10-methylspiro[acridine-9,9'-fluorene]?

The InChIKey is VZRPIFWZZOXWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C180H114N4/c1-181-162-97-36-30-86-149(162)179(144-81-25-16-61-123(144)124-62-17-26-82-145(124)179)158-95-45-73-129(173(158)181)117-67-42-69-125-136(117)109-137-118(68-43-70-126(137)168(125)134-75-47-92-155-171(134)131-63-18-27-83-146(131)175(155,112-51-6-3-7-52-112)113-53-8-4-9-54-113)130-74-46-96-159-174(130)182(2)163-98-37-31-87-150(163)180(159)148-85-29-20-65-133(148)170-116(66-44-94-157(170)180)111-105-107-115(108-106-111)176(114-55-10-5-11-56-114)147-84-28-19-64-132(147)172-135(76-48-93-156(172)176)169-127-71-49-103-160(183-164-99-38-32-88-151(164)177(152-89-33-39-100-165(152)183)140-77-21-12-57-119(140)120-58-13-22-78-141(120)177)138(127)110-139-128(169)72-50-104-161(139)184-166-101-40-34-90-153(166)178(154-91-35-41-102-167(154)184)142-79-23-14-59-121(142)122-60-15-24-80-143(122)178/h3-110H,1-2H3.

What are the key properties of 4-[10-(9,9-diphenylfluoren-4-yl)-8-(10-methylspiro[acridine-9,9'-fluorene]-4-yl)anthracen-1-yl]-4'-[4-[4-[4,5-di(spiro[acridine-9,9'-fluorene]-10-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-10-methylspiro[acridine-9,9'-fluorene]?

4-[10-(9,9-diphenylfluoren-4-yl)-8-(10-methylspiro[acridine-9,9'-fluorene]-4-yl)anthracen-1-yl]-4'-[4-[4-[4,5-di(spiro[acridine-9,9'-fluorene]-10-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-10-methylspiro[acridine-9,9'-fluorene] has a molecular weight of 2332.92 g/mol, XLogP of 44.54, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[10-(9,9-diphenylfluoren-4-yl)-8-(10-methylspiro[acridine-9,9'-fluorene]-4-yl)anthracen-1-yl]-4'-[4-[4-[4,5-di(spiro[acridine-9,9'-fluorene]-10-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-10-methylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 155334756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).