N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(2-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-(2-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 155297004

About N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(2-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-(2-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-(2-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-(2-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 155297004) 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-(2-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-(2-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-(2-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-(2-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: 155297004
• 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-(2-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-(2-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(-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cccc8c6n7-c6ccccc6C86c7ccccc7-c7ccc(-c8ccc9cc(N(c%10ccc(-c%11cccc(-n%12c%13ccccc%13c%13ccccc%13%12)c%11)cc%10)c%10ccccc%10-c%10ccccc%10-c%10ccccc%10)ccc9c8)cc76)ccc54)cc3)cc2)c2ccc3cc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)ccc3c2)cc1
• InChI: InChI=1S/C166H104N6/c1-3-34-108(35-4-1)127-40-7-9-42-129(127)135-46-13-23-60-153(135)167(125-90-78-113-96-111(68-70-115(113)99-125)119-80-92-133-131-44-11-19-54-145(131)165(151(133)103-119)147-56-21-29-66-161(147)171-158-65-28-17-50-139(158)141-52-32-58-149(165)163(141)171)121-84-72-105(73-85-121)106-74-88-123(89-75-106)169-157-64-27-18-51-140(157)143-101-117(82-94-159(143)169)118-83-95-160-144(102-118)142-53-33-59-150-164(142)172(160)162-67-30-22-57-148(162)166(150)146-55-20-12-45-132(146)134-93-81-120(104-152(134)166)112-69-71-116-100-126(91-79-114(116)97-112)168(154-61-24-14-47-136(154)130-43-10-8-41-128(130)109-36-5-2-6-37-109)122-86-76-107(77-87-122)110-38-31-39-124(98-110)170-155-62-25-15-48-137(155)138-49-16-26-63-156(138)170/h1-104H
• InChIKey: JOUAWGCRVAAOOA-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-(2-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-(2-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-(2-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-(2-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 155297004) is N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(2-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-(2-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-(2-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-(2-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-(2-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-(2-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(-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cccc8c6n7-c6ccccc6C86c7ccccc7-c7ccc(-c8ccc9cc(N(c%10ccc(-c%11cccc(-n%12c%13ccccc%13c%13ccccc%13%12)c%11)cc%10)c%10ccccc%10-c%10ccccc%10-c%10ccccc%10)ccc9c8)cc76)ccc54)cc3)cc2)c2ccc3cc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)ccc3c2)cc1.

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

What are the key properties of N-[4-[4-[3-[2'-[6-[4-(3-carbazol-9-ylphenyl)-N-[2-(2-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-(2-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-(2-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-(2-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-(2-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-(2-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 155297004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).