N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline

C77H48N2 — CID 167225442

IUPACN-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3ccc(-c4ccc5c(c4)-n4c6ccccc6c6ccc7c(c64)-c4c-5cccc4C74c5ccccc5-c5ccccc54)cc3)c2)c2cccc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C77H48N2/c1-2-18-52(19-3-1)60-27-8-12-36-71(60)78(57-25-15-23-55(47-57)59-31-16-21-51-20-4-5-26-58(51)59)56-24-14-22-53(46-56)49-38-40-50(41-39-49)54-42-43-64-65-32-17-35-69-74(65)75-70(77(69)67-33-10-6-28-61(67)62-29-7-11-34-68(62)77)45-44-66-63-30-9-13-37-72(63)79(76(66)75)73(64)48-54/h1-48H
InChIKeyCWBPAUDBHSIVFH-UHFFFAOYSA-N
MW1001.25 g/mol
LogP20.40
Rot. Bonds7

About N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline

N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline (PubChem CID 167225442) has the molecular formula C77H48N2 and a molecular weight of 1001.25 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline
PubChem CID167225442
Molecular FormulaC77H48N2
Molecular Weight1001.25 g/mol
Exact Mass1000.38
IUPAC NameN-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3ccc(-c4ccc5c(c4)-n4c6ccccc6c6ccc7c(c64)-c4c-5cccc4C74c5ccccc5-c5ccccc54)cc3)c2)c2cccc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C77H48N2/c1-2-18-52(19-3-1)60-27-8-12-36-71(60)78(57-25-15-23-55(47-57)59-31-16-21-51-20-4-5-26-58(51)59)56-24-14-22-53(46-56)49-38-40-50(41-39-49)54-42-43-64-65-32-17-35-69-74(65)75-70(77(69)67-33-10-6-28-61(67)62-29-7-11-34-68(62)77)45-44-66-63-30-9-13-37-72(63)79(76(66)75)73(64)48-54/h1-48H
InChIKeyCWBPAUDBHSIVFH-UHFFFAOYSA-N
XLogP20.40
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.25
LogP ≤ 520.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline with MolForge

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Related Compounds

9',9'-dimethyl-11-naphthalen-1-yl-N-phenyl-N-(3-phenylphenyl)spiro[14-azaheptacyclo[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-dodecaene-26,10'-anthracene]-5-amine
CID 167225454
N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]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]-3'-amine
CID 135167378
N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-amine
CID 169023324
N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]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]-3'-amine;N-naphthalen-1-yl-N-[2-(3-phenylphenyl)phenyl]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]-3'-amine;N-[2-(3-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]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]-3'-amine
CID 158892410
N-(4-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine
CID 135167243
N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)-N-(4-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'-ylphenyl)aniline;N-[2-(3-phenylphenyl)phenyl]-N-(4-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'-ylphenyl)naphthalen-1-amine;N-[2-(3-phenylphenyl)phenyl]-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 161442681
N-(4-naphthalen-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylspiro[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]-4'-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylspiro[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]-4'-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylspiro[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]-4'-amine;N-phenyl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylspiro[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]-4'-amine
CID 160667115
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 129085098
N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]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]-10-amine;N-naphthalen-1-yl-N-[2-(3-phenylphenyl)phenyl]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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-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]-10-amine
CID 157356224
N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]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]-4'-amine
CID 135166318
N-(3-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylspiro[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]-4'-amine
CID 135168156
N-[2-(3-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]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'-amine;N-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]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'-amine;N-phenyl-N-[2-(3-phenylphenyl)phenyl]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'-amine
CID 158365942

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline (CID 167225442) is N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline is c1ccc(-c2ccccc2N(c2cccc(-c3ccc(-c4ccc5c(c4)-n4c6ccccc6c6ccc7c(c64)-c4c-5cccc4C74c5ccccc5-c5ccccc54)cc3)c2)c2cccc(-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline?
The InChIKey is CWBPAUDBHSIVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H48N2/c1-2-18-52(19-3-1)60-27-8-12-36-71(60)78(57-25-15-23-55(47-57)59-31-16-21-51-20-4-5-26-58(51)59)56-24-14-22-53(46-56)49-38-40-50(41-39-49)54-42-43-64-65-32-17-35-69-74(65)75-70(77(69)67-33-10-6-28-61(67)62-29-7-11-34-68(62)77)45-44-66-63-30-9-13-37-72(63)79(76(66)75)73(64)48-54/h1-48H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline?
N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline has a molecular weight of 1001.25 g/mol, XLogP of 20.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[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-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline is sourced from PubChem (CID 167225442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).