N,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline

C72H48N4S — CID 118651790

IUPACN,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6sc7c(ccc8c7c7ccccc7n8-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc7)c6ccc54)cc3)cc2)cc1
InChIInChI=1S/C72H48N4S/c1-5-17-49(18-6-1)51-29-33-55(34-30-51)73(53-21-9-3-10-22-53)57-37-41-59(42-38-57)75-65-27-15-13-25-63(65)69-67(75)47-45-61-62-46-48-68-70(72(62)77-71(61)69)64-26-14-16-28-66(64)76(68)60-43-39-58(40-44-60)74(54-23-11-4-12-24-54)56-35-31-52(32-36-56)50-19-7-2-8-20-50/h1-48H
InChIKeyHGGSVLOWLNURKM-UHFFFAOYSA-N
MW1001.27 g/mol
LogP20.52
Rot. Bonds10

About N,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline

N,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline (PubChem CID 118651790) has the molecular formula C72H48N4S and a molecular weight of 1001.27 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline
PubChem CID118651790
Molecular FormulaC72H48N4S
Molecular Weight1001.27 g/mol
Exact Mass1000.36
IUPAC NameN,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6sc7c(ccc8c7c7ccccc7n8-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc7)c6ccc54)cc3)cc2)cc1
InChIInChI=1S/C72H48N4S/c1-5-17-49(18-6-1)51-29-33-55(34-30-51)73(53-21-9-3-10-22-53)57-37-41-59(42-38-57)75-65-27-15-13-25-63(65)69-67(75)47-45-61-62-46-48-68-70(72(62)77-71(61)69)64-26-14-16-28-66(64)76(68)60-43-39-58(40-44-60)74(54-23-11-4-12-24-54)56-35-31-52(32-36-56)50-19-7-2-8-20-50/h1-48H
InChIKeyHGGSVLOWLNURKM-UHFFFAOYSA-N
XLogP20.52
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.27
LogP ≤ 520.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline with MolForge

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Related Compounds

10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine
CID 88856281
(Z)-but-2-ene;4-phenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 145021121
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
6,24-bis(4-carbazol-9-ylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736430
N,4-diphenyl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]aniline
CID 145273269
4-[4-[24-(9,9-dimethylfluoren-2-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N,N-diphenylaniline
CID 118651731
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 157380480
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-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline
CID 163478286

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline (CID 118651790) is N,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6sc7c(ccc8c7c7ccccc7n8-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc7)c6ccc54)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline?
The InChIKey is HGGSVLOWLNURKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N4S/c1-5-17-49(18-6-1)51-29-33-55(34-30-51)73(53-21-9-3-10-22-53)57-37-41-59(42-38-57)75-65-27-15-13-25-63(65)69-67(75)47-45-61-62-46-48-68-70(72(62)77-71(61)69)64-26-14-16-28-66(64)76(68)60-43-39-58(40-44-60)74(54-23-11-4-12-24-54)56-35-31-52(32-36-56)50-19-7-2-8-20-50/h1-48H.
What are the key properties of N,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline?
N,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline has a molecular weight of 1001.27 g/mol, XLogP of 20.52, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]aniline is sourced from PubChem (CID 118651790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).