8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine

C60H40N4O — CID 121286493

IUPAC8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccc4c5ccc6c7cc(N(c8ccccc8)c8ccccc8)ccc7n(-c7ccccc7)c6c5oc4c2n3-c2ccccc2)cc1
InChIInChI=1S/C60H40N4O/c1-7-19-41(20-8-1)61(42-21-9-2-10-22-42)47-31-37-55-53(39-47)49-33-35-51-52-36-34-50-54-40-48(62(43-23-11-3-12-24-43)44-25-13-4-14-26-44)32-38-56(54)64(46-29-17-6-18-30-46)58(50)60(52)65-59(51)57(49)63(55)45-27-15-5-16-28-45/h1-40H
InChIKeyQZSPRAYDHXNKDW-UHFFFAOYSA-N
MW833.01 g/mol
LogP16.72
Rot. Bonds8

About 8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine

8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine (PubChem CID 121286493) has the molecular formula C60H40N4O and a molecular weight of 833.01 g/mol. Its IUPAC name is 8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine.

Molecular Properties

Compound Name8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine
PubChem CID121286493
Molecular FormulaC60H40N4O
Molecular Weight833.01 g/mol
Exact Mass832.32
IUPAC Name8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccc4c5ccc6c7cc(N(c8ccccc8)c8ccccc8)ccc7n(-c7ccccc7)c6c5oc4c2n3-c2ccccc2)cc1
InChIInChI=1S/C60H40N4O/c1-7-19-41(20-8-1)61(42-21-9-2-10-22-42)47-31-37-55-53(39-47)49-33-35-51-52-36-34-50-54-40-48(62(43-23-11-3-12-24-43)44-25-13-4-14-26-44)32-38-56(54)64(46-29-17-6-18-30-46)58(50)60(52)65-59(51)57(49)63(55)45-27-15-5-16-28-45/h1-40H
InChIKeyQZSPRAYDHXNKDW-UHFFFAOYSA-N
XLogP16.72
TPSA29.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.01
LogP ≤ 516.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine with MolForge

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Related Compounds

N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline
CID 121286448
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine
CID 121369243
9,9-dimethyl-N-phenyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 121286556
N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine
CID 90050790
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine
CID 172546753
N,N,12-triphenyl-5-[4-(N-phenylanilino)phenyl]indolo[2,3-g]carbazol-3-amine
CID 118122844
N,1,10-triphenyl-N-(9-phenylcarbazol-3-yl)pyrrolo[2,3-a]carbazol-7-amine
CID 118316092
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472

Frequently Asked Questions

What is the IUPAC name of 8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine?
The IUPAC name of 8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine (CID 121286493) is 8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine.
What is the SMILES notation for 8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine?
The canonical SMILES for 8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccc4c5ccc6c7cc(N(c8ccccc8)c8ccccc8)ccc7n(-c7ccccc7)c6c5oc4c2n3-c2ccccc2)cc1.
What is the InChIKey of 8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine?
The InChIKey is QZSPRAYDHXNKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4O/c1-7-19-41(20-8-1)61(42-21-9-2-10-22-42)47-31-37-55-53(39-47)49-33-35-51-52-36-34-50-54-40-48(62(43-23-11-3-12-24-43)44-25-13-4-14-26-44)32-38-56(54)64(46-29-17-6-18-30-46)58(50)60(52)65-59(51)57(49)63(55)45-27-15-5-16-28-45/h1-40H.
What are the key properties of 8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine?
8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine has a molecular weight of 833.01 g/mol, XLogP of 16.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine is sourced from PubChem (CID 121286493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).