5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane

C194H192N2O — CID 161250975

About 5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane

5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane (PubChem CID 161250975) has the molecular formula C194H192N2O and a molecular weight of 2567.68 g/mol. Its IUPAC name is 5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane.

Molecular Properties

• Compound Name: 5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane
• PubChem CID: 161250975
• Molecular Formula: C194H192N2O
• Molecular Weight: 2567.68 g/mol
• Exact Mass: 2565.50
• IUPAC Name: 5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane
• SMILES: C.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C7(c9cc(-c%10ccc%11c(c%10)C(C)(C)c%10cc(-c%12ccc%13c(c%12)C(C)(C)c%12cc(-c%14ccc%15c(c%14)C(CCCCCCCC)(CCCCCCCC)c%14ccccc%14-%15)ccc%12-%13)ccc%10-%11)ccc9-8)c8cc(N(c9ccc(-c%10ccccc%10)cc9)c9ccc(C(C)(C)C)cc9)ccc8-c8c7cc(N(c7ccc(-c9ccccc9)cc7)c7ccc(C(C)(C)C)cc7)c7c8oc8ccccc87)ccc5-6)ccc3-4)cc21
• InChI: InChI=1S/C193H188N2O.CH4/c1-19-23-27-31-35-51-107-191(108-52-36-32-28-24-20-2)164-62-48-45-59-148(164)158-102-77-137(119-174(158)191)133-73-98-154-150-94-69-129(111-166(150)187(11,12)170(154)115-133)131-71-96-152-156-100-75-135(117-172(156)189(15,16)168(152)113-131)139-79-104-160-161-105-80-140(136-76-101-157-153-97-72-132(114-169(153)190(17,18)173(157)118-136)130-70-95-151-155-99-74-134(116-171(155)188(13,14)167(151)112-130)138-78-103-159-149-60-46-49-63-165(149)192(175(159)120-138,109-53-37-33-29-25-21-3)110-54-38-34-30-26-22-4)122-177(161)193(176(160)121-139)178-123-147(194(144-89-81-141(82-90-144)185(5,6)7)143-85-65-127(66-86-143)125-55-41-39-42-56-125)93-106-162(178)182-179(193)124-180(183-163-61-47-50-64-181(163)196-184(182)183)195(146-91-83-142(84-92-146)186(8,9)10)145-87-67-128(68-88-145)126-57-43-40-44-58-126;/h39-50,55-106,111-124H,19-38,51-54,107-110H2,1-18H3;1H4
• InChIKey: VBGMOZVEIZRLPZ-UHFFFAOYSA-N
• XLogP: 56.20
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 42
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2567.68
LogP ≤ 5	56.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane?

The IUPAC name of 5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane (CID 161250975) is 5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane.

What is the SMILES notation for 5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane?

The canonical SMILES for 5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane is C.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C7(c9cc(-c%10ccc%11c(c%10)C(C)(C)c%10cc(-c%12ccc%13c(c%12)C(C)(C)c%12cc(-c%14ccc%15c(c%14)C(CCCCCCCC)(CCCCCCCC)c%14ccccc%14-%15)ccc%12-%13)ccc%10-%11)ccc9-8)c8cc(N(c9ccc(-c%10ccccc%10)cc9)c9ccc(C(C)(C)C)cc9)ccc8-c8c7cc(N(c7ccc(-c9ccccc9)cc7)c7ccc(C(C)(C)C)cc7)c7c8oc8ccccc87)ccc5-6)ccc3-4)cc21.

What is the InChIKey of 5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane?

The InChIKey is VBGMOZVEIZRLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C193H188N2O.CH4/c1-19-23-27-31-35-51-107-191(108-52-36-32-28-24-20-2)164-62-48-45-59-148(164)158-102-77-137(119-174(158)191)133-73-98-154-150-94-69-129(111-166(150)187(11,12)170(154)115-133)131-71-96-152-156-100-75-135(117-172(156)189(15,16)168(152)113-131)139-79-104-160-161-105-80-140(136-76-101-157-153-97-72-132(114-169(153)190(17,18)173(157)118-136)130-70-95-151-155-99-74-134(116-171(155)188(13,14)167(151)112-130)138-78-103-159-149-60-46-49-63-165(149)192(175(159)120-138,109-53-37-33-29-25-21-3)110-54-38-34-30-26-22-4)122-177(161)193(176(160)121-139)178-123-147(194(144-89-81-141(82-90-144)185(5,6)7)143-85-65-127(66-86-143)125-55-41-39-42-56-125)93-106-162(178)182-179(193)124-180(183-163-61-47-50-64-181(163)196-184(182)183)195(146-91-83-142(84-92-146)186(8,9)10)145-87-67-128(68-88-145)126-57-43-40-44-58-126;/h39-50,55-106,111-124H,19-38,51-54,107-110H2,1-18H3;1H4.

What are the key properties of 5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane?

5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane has a molecular weight of 2567.68 g/mol, XLogP of 56.20, 42 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane is sourced from PubChem (CID 161250975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).