(15S)-9-N,15-N-bis(6-methyl-3-pyridinyl)-12,12-diphenyl-9-N,15-N-bis(4-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,16(24),17,19,21-decaene-9,15-diamine

C71H52N4O — CID 170288014

IUPAC(15S)-9-N,15-N-bis(6-methyl-3-pyridinyl)-12,12-diphenyl-9-N,15-N-bis(4-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,16(24),17,19,21-decaene-9,15-diamine
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c(c4ccccc24)C2=C(C[C@H](N(c4ccc(-c5ccccc5)cc4)c4ccc(C)nc4)c4c2oc2ccccc42)C3(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C71H52N4O/c1-47-31-37-57(45-72-47)74(55-39-33-51(34-40-55)49-19-7-3-8-20-49)64-43-62-67(60-28-16-15-27-59(60)64)69-63(71(62,53-23-11-5-12-24-53)54-25-13-6-14-26-54)44-65(68-61-29-17-18-30-66(61)76-70(68)69)75(58-38-32-48(2)73-46-58)56-41-35-52(36-42-56)50-21-9-4-10-22-50/h3-43,45-46,65H,44H2,1-2H3/t65-/m0/s1
InChIKeyZDUCKAGJIONZMQ-FZWUFXCXSA-N
MW977.22 g/mol
LogP18.23
Rot. Bonds10

About (15S)-9-N,15-N-bis(6-methyl-3-pyridinyl)-12,12-diphenyl-9-N,15-N-bis(4-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,16(24),17,19,21-decaene-9,15-diamine

(15S)-9-N,15-N-bis(6-methyl-3-pyridinyl)-12,12-diphenyl-9-N,15-N-bis(4-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,16(24),17,19,21-decaene-9,15-diamine (PubChem CID 170288014) has the molecular formula C71H52N4O and a molecular weight of 977.22 g/mol. Its IUPAC name is (15S)-9-N,15-N-bis(6-methyl-3-pyridinyl)-12,12-diphenyl-9-N,15-N-bis(4-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,16(24),17,19,21-decaene-9,15-diamine.

Molecular Properties

Compound Name(15S)-9-N,15-N-bis(6-methyl-3-pyridinyl)-12,12-diphenyl-9-N,15-N-bis(4-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,16(24),17,19,21-decaene-9,15-diamine
PubChem CID170288014
Molecular FormulaC71H52N4O
Molecular Weight977.22 g/mol
Exact Mass976.41
IUPAC Name(15S)-9-N,15-N-bis(6-methyl-3-pyridinyl)-12,12-diphenyl-9-N,15-N-bis(4-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,16(24),17,19,21-decaene-9,15-diamine
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c(c4ccccc24)C2=C(C[C@H](N(c4ccc(-c5ccccc5)cc4)c4ccc(C)nc4)c4c2oc2ccccc42)C3(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C71H52N4O/c1-47-31-37-57(45-72-47)74(55-39-33-51(34-40-55)49-19-7-3-8-20-49)64-43-62-67(60-28-16-15-27-59(60)64)69-63(71(62,53-23-11-5-12-24-53)54-25-13-6-14-26-54)44-65(68-61-29-17-18-30-66(61)76-70(68)69)75(58-38-32-48(2)73-46-58)56-41-35-52(36-42-56)50-21-9-4-10-22-50/h3-43,45-46,65H,44H2,1-2H3/t65-/m0/s1
InChIKeyZDUCKAGJIONZMQ-FZWUFXCXSA-N
XLogP18.23
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.22
LogP ≤ 518.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (15S)-9-N,15-N-bis(6-methyl-3-pyridinyl)-12,12-diphenyl-9-N,15-N-bis(4-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,16(24),17,19,21-decaene-9,15-diamine with MolForge

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Related Compounds

5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 156556102
7,7-dimethyl-5-N,9-N-bis(6-methyl-3-pyridinyl)-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 139397270
9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140171
N-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156549425
9-N,15-N-bis(4-cyclohexylphenyl)-9-N,15-N-di(dibenzofuran-3-yl)-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140162
N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 170401534
5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine
CID 153283719
N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170401544
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399267
12-N-cyclohexa-1,3-dien-1-yl-18-N,15,15-triphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2(14),3(11),4,6,8,16,18,20,22,24-undecaene-12,18-diamine
CID 156554724
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 126701110
3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170400196

Frequently Asked Questions

What is the IUPAC name of (15S)-9-N,15-N-bis(6-methyl-3-pyridinyl)-12,12-diphenyl-9-N,15-N-bis(4-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,16(24),17,19,21-decaene-9,15-diamine?
The IUPAC name of (15S)-9-N,15-N-bis(6-methyl-3-pyridinyl)-12,12-diphenyl-9-N,15-N-bis(4-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,16(24),17,19,21-decaene-9,15-diamine (CID 170288014) is (15S)-9-N,15-N-bis(6-methyl-3-pyridinyl)-12,12-diphenyl-9-N,15-N-bis(4-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,16(24),17,19,21-decaene-9,15-diamine.
What is the SMILES notation for (15S)-9-N,15-N-bis(6-methyl-3-pyridinyl)-12,12-diphenyl-9-N,15-N-bis(4-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,16(24),17,19,21-decaene-9,15-diamine?
The canonical SMILES for (15S)-9-N,15-N-bis(6-methyl-3-pyridinyl)-12,12-diphenyl-9-N,15-N-bis(4-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,16(24),17,19,21-decaene-9,15-diamine is Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c(c4ccccc24)C2=C(C[C@H](N(c4ccc(-c5ccccc5)cc4)c4ccc(C)nc4)c4c2oc2ccccc42)C3(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of (15S)-9-N,15-N-bis(6-methyl-3-pyridinyl)-12,12-diphenyl-9-N,15-N-bis(4-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,16(24),17,19,21-decaene-9,15-diamine?
The InChIKey is ZDUCKAGJIONZMQ-FZWUFXCXSA-N. The full InChI is InChI=1S/C71H52N4O/c1-47-31-37-57(45-72-47)74(55-39-33-51(34-40-55)49-19-7-3-8-20-49)64-43-62-67(60-28-16-15-27-59(60)64)69-63(71(62,53-23-11-5-12-24-53)54-25-13-6-14-26-54)44-65(68-61-29-17-18-30-66(61)76-70(68)69)75(58-38-32-48(2)73-46-58)56-41-35-52(36-42-56)50-21-9-4-10-22-50/h3-43,45-46,65H,44H2,1-2H3/t65-/m0/s1.
What are the key properties of (15S)-9-N,15-N-bis(6-methyl-3-pyridinyl)-12,12-diphenyl-9-N,15-N-bis(4-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,16(24),17,19,21-decaene-9,15-diamine?
(15S)-9-N,15-N-bis(6-methyl-3-pyridinyl)-12,12-diphenyl-9-N,15-N-bis(4-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,16(24),17,19,21-decaene-9,15-diamine has a molecular weight of 977.22 g/mol, XLogP of 18.23, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (15S)-9-N,15-N-bis(6-methyl-3-pyridinyl)-12,12-diphenyl-9-N,15-N-bis(4-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,16(24),17,19,21-decaene-9,15-diamine is sourced from PubChem (CID 170288014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).