N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-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-phenyldibenzofuran-4-amine

C72H44N4O3 — CID 118651787

IUPACN-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-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-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4c5oc6c(ccc7c6c6ccccc6n7-c6ccc(N(c7ccccc7)c7cccc8c7oc7ccccc78)cc6)c5ccc43)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C72H44N4O3/c1-3-17-45(18-4-1)73(63-29-15-25-53-51-21-9-13-31-65(51)77-69(53)63)47-33-37-49(38-34-47)75-59-27-11-7-23-57(59)67-61(75)43-41-55-56-42-44-62-68(72(56)79-71(55)67)58-24-8-12-28-60(58)76(62)50-39-35-48(36-40-50)74(46-19-5-2-6-20-46)64-30-16-26-54-52-22-10-14-32-66(52)78-70(54)64/h1-44H
InChIKeyKIVXMUROGCGZKH-UHFFFAOYSA-N
MW1013.17 g/mol
LogP20.52
Rot. Bonds8

About N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-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-phenyldibenzofuran-4-amine

N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-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-phenyldibenzofuran-4-amine (PubChem CID 118651787) has the molecular formula C72H44N4O3 and a molecular weight of 1013.17 g/mol. Its IUPAC name is N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-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-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-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-phenyldibenzofuran-4-amine
PubChem CID118651787
Molecular FormulaC72H44N4O3
Molecular Weight1013.17 g/mol
Exact Mass1012.34
IUPAC NameN-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-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-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4c5oc6c(ccc7c6c6ccccc6n7-c6ccc(N(c7ccccc7)c7cccc8c7oc7ccccc78)cc6)c5ccc43)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C72H44N4O3/c1-3-17-45(18-4-1)73(63-29-15-25-53-51-21-9-13-31-65(51)77-69(53)63)47-33-37-49(38-34-47)75-59-27-11-7-23-57(59)67-61(75)43-41-55-56-42-44-62-68(72(56)79-71(55)67)58-24-8-12-28-60(58)76(62)50-39-35-48(36-40-50)74(46-19-5-2-6-20-46)64-30-16-26-54-52-22-10-14-32-66(52)78-70(54)64/h1-44H
InChIKeyKIVXMUROGCGZKH-UHFFFAOYSA-N
XLogP20.52
TPSA55.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.17
LogP ≤ 520.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-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-phenyldibenzofuran-4-amine with MolForge

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Related Compounds

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CID 89492134
1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 131997540
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118405637
N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine
CID 166032307
N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine
CID 90050679
4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine
CID 135164574
N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-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]dibenzofuran-2-amine
CID 118651781
2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine
CID 154965712
18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163659368
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-dinaphthalen-2-yl-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163652671

Frequently Asked Questions

What is the IUPAC name of N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-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-phenyldibenzofuran-4-amine?
The IUPAC name of N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-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-phenyldibenzofuran-4-amine (CID 118651787) is N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-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-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-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-phenyldibenzofuran-4-amine?
The canonical SMILES for N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-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-phenyldibenzofuran-4-amine is c1ccc(N(c2ccc(-n3c4ccccc4c4c5oc6c(ccc7c6c6ccccc6n7-c6ccc(N(c7ccccc7)c7cccc8c7oc7ccccc78)cc6)c5ccc43)cc2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-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-phenyldibenzofuran-4-amine?
The InChIKey is KIVXMUROGCGZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44N4O3/c1-3-17-45(18-4-1)73(63-29-15-25-53-51-21-9-13-31-65(51)77-69(53)63)47-33-37-49(38-34-47)75-59-27-11-7-23-57(59)67-61(75)43-41-55-56-42-44-62-68(72(56)79-71(55)67)58-24-8-12-28-60(58)76(62)50-39-35-48(36-40-50)74(46-19-5-2-6-20-46)64-30-16-26-54-52-22-10-14-32-66(52)78-70(54)64/h1-44H.
What are the key properties of N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-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-phenyldibenzofuran-4-amine?
N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-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-phenyldibenzofuran-4-amine has a molecular weight of 1013.17 g/mol, XLogP of 20.52, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-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-phenyldibenzofuran-4-amine is sourced from PubChem (CID 118651787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).