N-[4-[7-[2'-[6-[N-(9,9-diphenylfluoren-4-yl)-2-(4-phenylphenyl)anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-6-yl]dibenzofuran-2-yl]phenyl]-9,9-diphenyl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-4-amine

C168H104N4O — CID 135180837

About N-[4-[7-[2'-[6-[N-(9,9-diphenylfluoren-4-yl)-2-(4-phenylphenyl)anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-6-yl]dibenzofuran-2-yl]phenyl]-9,9-diphenyl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-4-amine

N-[4-[7-[2'-[6-[N-(9,9-diphenylfluoren-4-yl)-2-(4-phenylphenyl)anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-6-yl]dibenzofuran-2-yl]phenyl]-9,9-diphenyl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-4-amine (PubChem CID 135180837) has the molecular formula C168H104N4O and a molecular weight of 2194.71 g/mol. Its IUPAC name is N-[4-[7-[2'-[6-[N-(9,9-diphenylfluoren-4-yl)-2-(4-phenylphenyl)anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-6-yl]dibenzofuran-2-yl]phenyl]-9,9-diphenyl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-4-amine.

Molecular Properties

• Compound Name: N-[4-[7-[2'-[6-[N-(9,9-diphenylfluoren-4-yl)-2-(4-phenylphenyl)anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-6-yl]dibenzofuran-2-yl]phenyl]-9,9-diphenyl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-4-amine
• PubChem CID: 135180837
• Molecular Formula: C168H104N4O
• Molecular Weight: 2194.71 g/mol
• Exact Mass: 2192.82
• IUPAC Name: N-[4-[7-[2'-[6-[N-(9,9-diphenylfluoren-4-yl)-2-(4-phenylphenyl)anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-6-yl]dibenzofuran-2-yl]phenyl]-9,9-diphenyl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-4-amine
• SMILES: c1ccc(-c2ccc(-c3ccccc3N(c3ccc4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c7cccc(-c8ccc9c(c8)oc8ccc(-c%10ccc(N(c%11ccc%12cc(-c%13ccc%14c(c%13)C%13(c%15ccccc%15-%14)c%14ccccc%14-n%14c%15ccccc%15c%15cccc%13c%15%14)ccc%12c%11)c%11cccc%12c%11-c%11ccccc%11C%12(c%11ccccc%11)c%11ccccc%11)cc%10)cc89)c7c7cccc5c76)ccc4c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
• InChI: InChI=1S/C168H104N4O/c1-6-37-105(38-7-1)106-73-75-108(76-74-106)126-47-20-28-66-151(126)170(157-72-36-63-146-162(157)136-52-19-25-59-142(136)166(146,121-43-12-4-13-44-121)122-45-14-5-15-46-122)125-92-84-112-98-110(78-80-114(112)100-125)117-86-94-131-129-49-17-23-57-140(129)168(150(131)103-117)144-61-27-31-69-154(144)172-155-70-34-53-127(160(155)137-55-33-65-148(168)164(137)172)118-87-95-133-138-101-115(88-96-158(138)173-159(133)104-118)107-81-89-123(90-82-107)169(156-71-35-62-145-161(156)135-51-18-24-58-141(135)165(145,119-39-8-2-9-40-119)120-41-10-3-11-42-120)124-91-83-111-97-109(77-79-113(111)99-124)116-85-93-130-128-48-16-22-56-139(128)167(149(130)102-116)143-60-26-30-68-153(143)171-152-67-29-21-50-132(152)134-54-32-64-147(167)163(134)171/h1-104H
• InChIKey: RGULRDZATQPBMZ-UHFFFAOYSA-N
• XLogP: 43.11
• TPSA: 29.48 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2194.71
LogP ≤ 5	43.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[2'-[6-[N-(9,9-diphenylfluoren-4-yl)-2-(4-phenylphenyl)anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-6-yl]dibenzofuran-2-yl]phenyl]-9,9-diphenyl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-4-amine?

The IUPAC name of N-[4-[7-[2'-[6-[N-(9,9-diphenylfluoren-4-yl)-2-(4-phenylphenyl)anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-6-yl]dibenzofuran-2-yl]phenyl]-9,9-diphenyl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-4-amine (CID 135180837) is N-[4-[7-[2'-[6-[N-(9,9-diphenylfluoren-4-yl)-2-(4-phenylphenyl)anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-6-yl]dibenzofuran-2-yl]phenyl]-9,9-diphenyl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-4-amine.

What is the SMILES notation for N-[4-[7-[2'-[6-[N-(9,9-diphenylfluoren-4-yl)-2-(4-phenylphenyl)anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-6-yl]dibenzofuran-2-yl]phenyl]-9,9-diphenyl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-4-amine?

The canonical SMILES for N-[4-[7-[2'-[6-[N-(9,9-diphenylfluoren-4-yl)-2-(4-phenylphenyl)anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-6-yl]dibenzofuran-2-yl]phenyl]-9,9-diphenyl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-4-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c7cccc(-c8ccc9c(c8)oc8ccc(-c%10ccc(N(c%11ccc%12cc(-c%13ccc%14c(c%13)C%13(c%15ccccc%15-%14)c%14ccccc%14-n%14c%15ccccc%15c%15cccc%13c%15%14)ccc%12c%11)c%11cccc%12c%11-c%11ccccc%11C%12(c%11ccccc%11)c%11ccccc%11)cc%10)cc89)c7c7cccc5c76)ccc4c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.

What is the InChIKey of N-[4-[7-[2'-[6-[N-(9,9-diphenylfluoren-4-yl)-2-(4-phenylphenyl)anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-6-yl]dibenzofuran-2-yl]phenyl]-9,9-diphenyl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-4-amine?

The InChIKey is RGULRDZATQPBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C168H104N4O/c1-6-37-105(38-7-1)106-73-75-108(76-74-106)126-47-20-28-66-151(126)170(157-72-36-63-146-162(157)136-52-19-25-59-142(136)166(146,121-43-12-4-13-44-121)122-45-14-5-15-46-122)125-92-84-112-98-110(78-80-114(112)100-125)117-86-94-131-129-49-17-23-57-140(129)168(150(131)103-117)144-61-27-31-69-154(144)172-155-70-34-53-127(160(155)137-55-33-65-148(168)164(137)172)118-87-95-133-138-101-115(88-96-158(138)173-159(133)104-118)107-81-89-123(90-82-107)169(156-71-35-62-145-161(156)135-51-18-24-58-141(135)165(145,119-39-8-2-9-40-119)120-41-10-3-11-42-120)124-91-83-111-97-109(77-79-113(111)99-124)116-85-93-130-128-48-16-22-56-139(128)167(149(130)102-116)143-60-26-30-68-153(143)171-152-67-29-21-50-132(152)134-54-32-64-147(167)163(134)171/h1-104H.

What are the key properties of N-[4-[7-[2'-[6-[N-(9,9-diphenylfluoren-4-yl)-2-(4-phenylphenyl)anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-6-yl]dibenzofuran-2-yl]phenyl]-9,9-diphenyl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-4-amine?

N-[4-[7-[2'-[6-[N-(9,9-diphenylfluoren-4-yl)-2-(4-phenylphenyl)anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-6-yl]dibenzofuran-2-yl]phenyl]-9,9-diphenyl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-4-amine has a molecular weight of 2194.71 g/mol, XLogP of 43.11, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[7-[2'-[6-[N-(9,9-diphenylfluoren-4-yl)-2-(4-phenylphenyl)anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-6-yl]dibenzofuran-2-yl]phenyl]-9,9-diphenyl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-4-amine is sourced from PubChem (CID 135180837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).