N-[3-[4-[4-[4-(N-(26,26-dimethyl-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-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine

C96H66N4 — CID 167225012

IUPACN-[3-[4-[4-[4-(N-(26,26-dimethyl-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-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine
SMILESCC1(C)c2cccc3c2-c2c1ccc1c4ccccc4n(c21)-c1cc(N(c2ccccc2)c2ccc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)cc(N(c7ccccc7)c7ccc8c9c7C(C)(C)c7ccc%10c%11ccccc%11n(c%10c7-9)-c7ccccc7-8)c6)cc5)cc4)cc2)ccc1-3
InChIInChI=1S/C96H66N4/c1-95(2)80-31-20-30-76-75-48-47-70(58-87(75)100-85-34-19-16-29-74(85)78-49-52-81(95)90(88(76)80)93(78)100)97(67-23-10-6-11-24-67)69-45-43-63(44-46-69)62-37-35-60(36-38-62)61-39-41-64(42-40-61)66-55-65(59-21-8-5-9-22-59)56-71(57-66)98(68-25-12-7-13-26-68)86-54-51-77-72-27-14-17-32-83(72)99-84-33-18-15-28-73(84)79-50-53-82-91(94(79)99)89(77)92(86)96(82,3)4/h5-58H,1-4H3
InChIKeyZFTMFCPKAZMQFI-UHFFFAOYSA-N
MW1275.61 g/mol
LogP26.06
Rot. Bonds10

About N-[3-[4-[4-[4-(N-(26,26-dimethyl-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-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine

N-[3-[4-[4-[4-(N-(26,26-dimethyl-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-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine (PubChem CID 167225012) has the molecular formula C96H66N4 and a molecular weight of 1275.61 g/mol. Its IUPAC name is N-[3-[4-[4-[4-(N-(26,26-dimethyl-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-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine.

Molecular Properties

Compound NameN-[3-[4-[4-[4-(N-(26,26-dimethyl-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-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine
PubChem CID167225012
Molecular FormulaC96H66N4
Molecular Weight1275.61 g/mol
Exact Mass1274.53
IUPAC NameN-[3-[4-[4-[4-(N-(26,26-dimethyl-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-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine
SMILESCC1(C)c2cccc3c2-c2c1ccc1c4ccccc4n(c21)-c1cc(N(c2ccccc2)c2ccc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)cc(N(c7ccccc7)c7ccc8c9c7C(C)(C)c7ccc%10c%11ccccc%11n(c%10c7-9)-c7ccccc7-8)c6)cc5)cc4)cc2)ccc1-3
InChIInChI=1S/C96H66N4/c1-95(2)80-31-20-30-76-75-48-47-70(58-87(75)100-85-34-19-16-29-74(85)78-49-52-81(95)90(88(76)80)93(78)100)97(67-23-10-6-11-24-67)69-45-43-63(44-46-69)62-37-35-60(36-38-62)61-39-41-64(42-40-61)66-55-65(59-21-8-5-9-22-59)56-71(57-66)98(68-25-12-7-13-26-68)86-54-51-77-72-27-14-17-32-83(72)99-84-33-18-15-28-73(84)79-50-53-82-91(94(79)99)89(77)92(86)96(82,3)4/h5-58H,1-4H3
InChIKeyZFTMFCPKAZMQFI-UHFFFAOYSA-N
XLogP26.06
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001275.61
LogP ≤ 526.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-[4-[4-[4-(N-(26,26-dimethyl-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-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine with MolForge

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Related Compounds

26,26-dimethyl-N,N-bis(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine
CID 167224954
N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 169023136
N-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 169023208
26,26-diphenyl-N,N-bis(4-phenylphenyl)-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-dodecaen-11-amine
CID 169023199
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-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169023356
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
9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169023056
N-[3-[3-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118490399
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167322095
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(3-phenylphenyl)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]-17-amine
CID 167176362
3-N-(26,26-dimethyl-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-17-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 171416795

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-[4-(N-(26,26-dimethyl-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-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine?
The IUPAC name of N-[3-[4-[4-[4-(N-(26,26-dimethyl-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-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine (CID 167225012) is N-[3-[4-[4-[4-(N-(26,26-dimethyl-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-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine.
What is the SMILES notation for N-[3-[4-[4-[4-(N-(26,26-dimethyl-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-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine?
The canonical SMILES for N-[3-[4-[4-[4-(N-(26,26-dimethyl-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-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine is CC1(C)c2cccc3c2-c2c1ccc1c4ccccc4n(c21)-c1cc(N(c2ccccc2)c2ccc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)cc(N(c7ccccc7)c7ccc8c9c7C(C)(C)c7ccc%10c%11ccccc%11n(c%10c7-9)-c7ccccc7-8)c6)cc5)cc4)cc2)ccc1-3.
What is the InChIKey of N-[3-[4-[4-[4-(N-(26,26-dimethyl-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-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine?
The InChIKey is ZFTMFCPKAZMQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H66N4/c1-95(2)80-31-20-30-76-75-48-47-70(58-87(75)100-85-34-19-16-29-74(85)78-49-52-81(95)90(88(76)80)93(78)100)97(67-23-10-6-11-24-67)69-45-43-63(44-46-69)62-37-35-60(36-38-62)61-39-41-64(42-40-61)66-55-65(59-21-8-5-9-22-59)56-71(57-66)98(68-25-12-7-13-26-68)86-54-51-77-72-27-14-17-32-83(72)99-84-33-18-15-28-73(84)79-50-53-82-91(94(79)99)89(77)92(86)96(82,3)4/h5-58H,1-4H3.
What are the key properties of N-[3-[4-[4-[4-(N-(26,26-dimethyl-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-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine?
N-[3-[4-[4-[4-(N-(26,26-dimethyl-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-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine has a molecular weight of 1275.61 g/mol, XLogP of 26.06, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-[4-(N-(26,26-dimethyl-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-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine is sourced from PubChem (CID 167225012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).