4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline

C70H48N4 — CID 143607921

IUPAC4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c5ccc6c7c8ccccc8c(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7n(-c7ccccc7)c6c5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C70H48N4/c1-7-21-52(22-8-1)71(53-23-9-2-10-24-53)58-40-35-49(36-41-58)51-39-44-61-63-45-46-64-68-62-34-20-19-33-60(62)65(50-37-42-59(43-38-50)72(54-25-11-3-12-26-54)55-27-13-4-14-28-55)48-67(68)74(57-31-17-6-18-32-57)70(64)69(63)73(66(61)47-51)56-29-15-5-16-30-56/h1-48H
InChIKeyFNWXPEZTWVZPSR-UHFFFAOYSA-N
MW945.18 g/mol
LogP19.31
Rot. Bonds10

About 4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline

4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline (PubChem CID 143607921) has the molecular formula C70H48N4 and a molecular weight of 945.18 g/mol. Its IUPAC name is 4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline
PubChem CID143607921
Molecular FormulaC70H48N4
Molecular Weight945.18 g/mol
Exact Mass944.39
IUPAC Name4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c5ccc6c7c8ccccc8c(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7n(-c7ccccc7)c6c5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C70H48N4/c1-7-21-52(22-8-1)71(53-23-9-2-10-24-53)58-40-35-49(36-41-58)51-39-44-61-63-45-46-64-68-62-34-20-19-33-60(62)65(50-37-42-59(43-38-50)72(54-25-11-3-12-26-54)55-27-13-4-14-28-55)48-67(68)74(57-31-17-6-18-32-57)70(64)69(63)73(66(61)47-51)56-29-15-5-16-30-56/h1-48H
InChIKeyFNWXPEZTWVZPSR-UHFFFAOYSA-N
XLogP19.31
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.18
LogP ≤ 519.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337160
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)aniline
CID 168782181
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
CID 174306559
4-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168782134
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118901505
4-naphthalen-1-yl-N-phenyl-N-[4-(7-phenylbenzo[c]carbazol-5-yl)phenyl]aniline
CID 170177852
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030
4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337175

Frequently Asked Questions

What is the IUPAC name of 4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline (CID 143607921) is 4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c5ccc6c7c8ccccc8c(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7n(-c7ccccc7)c6c5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of 4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline?
The InChIKey is FNWXPEZTWVZPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N4/c1-7-21-52(22-8-1)71(53-23-9-2-10-24-53)58-40-35-49(36-41-58)51-39-44-61-63-45-46-64-68-62-34-20-19-33-60(62)65(50-37-42-59(43-38-50)72(54-25-11-3-12-26-54)55-27-13-4-14-28-55)48-67(68)74(57-31-17-6-18-32-57)70(64)69(63)73(66(61)47-51)56-29-15-5-16-30-56/h1-48H.
What are the key properties of 4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline?
4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline has a molecular weight of 945.18 g/mol, XLogP of 19.31, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[12,15-diphenyl-9-[4-(N-phenylanilino)phenyl]-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-18-yl]-N,N-diphenylaniline is sourced from PubChem (CID 143607921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).