N-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline

C90H59N — CID 169023229

IUPACN-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline
SMILESc1ccc(-c2ccc(C3(c4ccc(-c5ccccc5)cc4)c4cccc5c4-c4c3ccc3c4C(c4ccc(-c6cccc(N(c7cccc(-c8ccc9ccccc9c8)c7)c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)cc4-5)c4ccccc4-3)cc2)cc1
InChIInChI=1S/C90H59N/c1-5-20-59(21-6-1)64-40-45-73(46-41-64)90(74-47-42-65(43-48-74)60-22-7-2-8-23-60)84-37-19-36-80-83-58-70(44-49-82(83)86-79-35-16-15-34-78(79)81-50-51-85(90)89(87(80)84)88(81)86)68-31-18-33-76(55-68)91(75-32-17-30-67(54-75)69-39-38-63-28-13-14-29-66(63)52-69)77-56-71(61-24-9-3-10-25-61)53-72(57-77)62-26-11-4-12-27-62/h1-58,86H
InChIKeyRVLWRDJGFYZWJW-UHFFFAOYSA-N
MW1154.47 g/mol
LogP23.82
Rot. Bonds11

About N-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline

N-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline (PubChem CID 169023229) has the molecular formula C90H59N and a molecular weight of 1154.47 g/mol. Its IUPAC name is N-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline.

Molecular Properties

Compound NameN-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline
PubChem CID169023229
Molecular FormulaC90H59N
Molecular Weight1154.47 g/mol
Exact Mass1153.46
IUPAC NameN-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline
SMILESc1ccc(-c2ccc(C3(c4ccc(-c5ccccc5)cc4)c4cccc5c4-c4c3ccc3c4C(c4ccc(-c6cccc(N(c7cccc(-c8ccc9ccccc9c8)c7)c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)cc4-5)c4ccccc4-3)cc2)cc1
InChIInChI=1S/C90H59N/c1-5-20-59(21-6-1)64-40-45-73(46-41-64)90(74-47-42-65(43-48-74)60-22-7-2-8-23-60)84-37-19-36-80-83-58-70(44-49-82(83)86-79-35-16-15-34-78(79)81-50-51-85(90)89(87(80)84)88(81)86)68-31-18-33-76(55-68)91(75-32-17-30-67(54-75)69-39-38-63-28-13-14-29-66(63)52-69)77-56-71(61-24-9-3-10-25-61)53-72(57-77)62-26-11-4-12-27-62/h1-58,86H
InChIKeyRVLWRDJGFYZWJW-UHFFFAOYSA-N
XLogP23.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001154.47
LogP ≤ 523.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline with MolForge

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Related Compounds

12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene
CID 159865494
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-naphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169020066
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 166565630
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169020035
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566284
N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 167323811
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
1-N,1-N-diphenyl-4-N-[4-[7-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]spiro[fluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 156553756
N-(4-naphthalen-2-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019576
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 167271873
4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247

Frequently Asked Questions

What is the IUPAC name of N-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline?
The IUPAC name of N-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline (CID 169023229) is N-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline.
What is the SMILES notation for N-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline?
The canonical SMILES for N-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline is c1ccc(-c2ccc(C3(c4ccc(-c5ccccc5)cc4)c4cccc5c4-c4c3ccc3c4C(c4ccc(-c6cccc(N(c7cccc(-c8ccc9ccccc9c8)c7)c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)cc4-5)c4ccccc4-3)cc2)cc1.
What is the InChIKey of N-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline?
The InChIKey is RVLWRDJGFYZWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H59N/c1-5-20-59(21-6-1)64-40-45-73(46-41-64)90(74-47-42-65(43-48-74)60-22-7-2-8-23-60)84-37-19-36-80-83-58-70(44-49-82(83)86-79-35-16-15-34-78(79)81-50-51-85(90)89(87(80)84)88(81)86)68-31-18-33-76(55-68)91(75-32-17-30-67(54-75)69-39-38-63-28-13-14-29-66(63)52-69)77-56-71(61-24-9-3-10-25-61)53-72(57-77)62-26-11-4-12-27-62/h1-58,86H.
What are the key properties of N-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline?
N-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline has a molecular weight of 1154.47 g/mol, XLogP of 23.82, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline is sourced from PubChem (CID 169023229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).