N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline

C98H63N5 — CID 163422851

IUPACN,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline
SMILESc1ccc(-c2ccc3c(c2)c2c4c5cc(-c6cccc(-c7ccc(-n8c9ccc(-c%10ccc(N(c%11ccccc%11)c%11ccccc%11)cc%10)cc9c9c%10c%11ccccc%11n(-c%11ccccc%11)c%10c%10ccccc%10c98)cc7)c6)ccc5n(-c5ccccc5)c4c4ccccc4c2n3-c2ccccc2)cc1
InChIInChI=1S/C98H63N5/c1-7-26-64(27-8-1)69-50-57-88-85(61-69)93-94-86-63-71(52-59-89(86)102(76-38-17-6-18-39-76)98(94)82-43-22-21-42-81(82)97(93)101(88)75-36-15-5-16-37-75)68-29-25-28-67(60-68)65-48-55-78(56-49-65)103-90-58-51-70(66-46-53-77(54-47-66)99(72-30-9-2-10-31-72)73-32-11-3-12-33-73)62-84(90)92-91-83-44-23-24-45-87(83)100(74-34-13-4-14-35-74)95(91)79-40-19-20-41-80(79)96(92)103/h1-63H
InChIKeyAJYDYKHAQQTIJD-UHFFFAOYSA-N
MW1310.62 g/mol
LogP26.52
Rot. Bonds11

About N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline

N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline (PubChem CID 163422851) has the molecular formula C98H63N5 and a molecular weight of 1310.62 g/mol. Its IUPAC name is N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline
PubChem CID163422851
Molecular FormulaC98H63N5
Molecular Weight1310.62 g/mol
Exact Mass1309.51
IUPAC NameN,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline
SMILESc1ccc(-c2ccc3c(c2)c2c4c5cc(-c6cccc(-c7ccc(-n8c9ccc(-c%10ccc(N(c%11ccccc%11)c%11ccccc%11)cc%10)cc9c9c%10c%11ccccc%11n(-c%11ccccc%11)c%10c%10ccccc%10c98)cc7)c6)ccc5n(-c5ccccc5)c4c4ccccc4c2n3-c2ccccc2)cc1
InChIInChI=1S/C98H63N5/c1-7-26-64(27-8-1)69-50-57-88-85(61-69)93-94-86-63-71(52-59-89(86)102(76-38-17-6-18-39-76)98(94)82-43-22-21-42-81(82)97(93)101(88)75-36-15-5-16-37-75)68-29-25-28-67(60-68)65-48-55-78(56-49-65)103-90-58-51-70(66-46-53-77(54-47-66)99(72-30-9-2-10-31-72)73-32-11-3-12-33-73)62-84(90)92-91-83-44-23-24-45-87(83)100(74-34-13-4-14-35-74)95(91)79-40-19-20-41-80(79)96(92)103/h1-63H
InChIKeyAJYDYKHAQQTIJD-UHFFFAOYSA-N
XLogP26.52
TPSA22.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001310.62
LogP ≤ 526.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline with MolForge

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Related Compounds

N-[4-[4-(21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-21-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467419
N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 142474038
3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 145273285
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
N,4-diphenyl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]aniline
CID 145273269
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-[4-(18,21-diphenyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139505661
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline (CID 163422851) is N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline is c1ccc(-c2ccc3c(c2)c2c4c5cc(-c6cccc(-c7ccc(-n8c9ccc(-c%10ccc(N(c%11ccccc%11)c%11ccccc%11)cc%10)cc9c9c%10c%11ccccc%11n(-c%11ccccc%11)c%10c%10ccccc%10c98)cc7)c6)ccc5n(-c5ccccc5)c4c4ccccc4c2n3-c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline?
The InChIKey is AJYDYKHAQQTIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H63N5/c1-7-26-64(27-8-1)69-50-57-88-85(61-69)93-94-86-63-71(52-59-89(86)102(76-38-17-6-18-39-76)98(94)82-43-22-21-42-81(82)97(93)101(88)75-36-15-5-16-37-75)68-29-25-28-67(60-68)65-48-55-78(56-49-65)103-90-58-51-70(66-46-53-77(54-47-66)99(72-30-9-2-10-31-72)73-32-11-3-12-33-73)62-84(90)92-91-83-44-23-24-45-87(83)100(74-34-13-4-14-35-74)95(91)79-40-19-20-41-80(79)96(92)103/h1-63H.
What are the key properties of N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline?
N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline has a molecular weight of 1310.62 g/mol, XLogP of 26.52, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[18-phenyl-9-[4-[3-(9,18,22-triphenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-5-yl)phenyl]phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaen-5-yl]aniline is sourced from PubChem (CID 163422851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).