N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl]carbazol-9-yl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-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-amine

C166H104N6 — CID 155297083

About N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl]carbazol-9-yl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-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-amine

N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl]carbazol-9-yl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-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-amine (PubChem CID 155297083) has the molecular formula C166H104N6 and a molecular weight of 2182.70 g/mol. Its IUPAC name is N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl]carbazol-9-yl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-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-amine.

Molecular Properties

• Compound Name: N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl]carbazol-9-yl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-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-amine
• PubChem CID: 155297083
• Molecular Formula: C166H104N6
• Molecular Weight: 2182.70 g/mol
• Exact Mass: 2180.83
• IUPAC Name: N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl]carbazol-9-yl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-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-amine
• SMILES: c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7cccc9c7n8-c7ccccc7C97c8ccccc8-c8ccc(-c9ccc%10cc(N(c%11ccc(-c%12cccc(-n%13c%14ccccc%14c%14ccccc%14%13)c%12)cc%11)c%11ccccc%11-c%11ccc(-c%12ccccc%12)cc%11)ccc%10c9)cc87)ccc65)cc4)cc3)c3ccc4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c7ccccc7c7cccc5c76)ccc4c3)cc2)cc1
• InChI: InChI=1S/C166H104N6/c1-3-30-105(31-4-1)107-60-64-112(65-61-107)131-36-9-19-52-153(131)167(129-90-78-117-96-115(68-70-119(117)99-129)123-80-92-135-133-38-7-15-46-145(133)165(151(135)103-123)147-48-17-25-58-161(147)171-158-57-24-13-42-139(158)141-44-28-50-149(165)163(141)171)125-84-72-109(73-85-125)110-74-88-127(89-75-110)169-157-56-23-14-43-140(157)143-101-121(82-94-159(143)169)122-83-95-160-144(102-122)142-45-29-51-150-164(142)172(160)162-59-26-18-49-148(162)166(150)146-47-16-8-39-134(146)136-93-81-124(104-152(136)166)116-69-71-120-100-130(91-79-118(120)97-116)168(154-53-20-10-37-132(154)113-66-62-108(63-67-113)106-32-5-2-6-33-106)126-86-76-111(77-87-126)114-34-27-35-128(98-114)170-155-54-21-11-40-137(155)138-41-12-22-55-156(138)170/h1-104H
• InChIKey: ZZXFQOHKNKOXID-UHFFFAOYSA-N
• XLogP: 43.68
• TPSA: 26.20 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2182.70
LogP ≤ 5	43.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl]carbazol-9-yl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-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-amine?

The IUPAC name of N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl]carbazol-9-yl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-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-amine (CID 155297083) is N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl]carbazol-9-yl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-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-amine.

What is the SMILES notation for N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl]carbazol-9-yl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-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-amine?

The canonical SMILES for N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl]carbazol-9-yl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-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-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7cccc9c7n8-c7ccccc7C97c8ccccc8-c8ccc(-c9ccc%10cc(N(c%11ccc(-c%12cccc(-n%13c%14ccccc%14c%14ccccc%14%13)c%12)cc%11)c%11ccccc%11-c%11ccc(-c%12ccccc%12)cc%11)ccc%10c9)cc87)ccc65)cc4)cc3)c3ccc4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c7ccccc7c7cccc5c76)ccc4c3)cc2)cc1.

What is the InChIKey of N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl]carbazol-9-yl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-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-amine?

The InChIKey is ZZXFQOHKNKOXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C166H104N6/c1-3-30-105(31-4-1)107-60-64-112(65-61-107)131-36-9-19-52-153(131)167(129-90-78-117-96-115(68-70-119(117)99-129)123-80-92-135-133-38-7-15-46-145(133)165(151(135)103-123)147-48-17-25-58-161(147)171-158-57-24-13-42-139(158)141-44-28-50-149(165)163(141)171)125-84-72-109(73-85-125)110-74-88-127(89-75-110)169-157-56-23-14-43-140(157)143-101-121(82-94-159(143)169)122-83-95-160-144(102-122)142-45-29-51-150-164(142)172(160)162-59-26-18-49-148(162)166(150)146-47-16-8-39-134(146)136-93-81-124(104-152(136)166)116-69-71-120-100-130(91-79-118(120)97-116)168(154-53-20-10-37-132(154)113-66-62-108(63-67-113)106-32-5-2-6-33-106)126-86-76-111(77-87-126)114-34-27-35-128(98-114)170-155-54-21-11-40-137(155)138-41-12-22-55-156(138)170/h1-104H.

What are the key properties of N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl]carbazol-9-yl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-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-amine?

N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl]carbazol-9-yl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-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-amine has a molecular weight of 2182.70 g/mol, XLogP of 43.68, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl]carbazol-9-yl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-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-amine is sourced from PubChem (CID 155297083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).