6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione

C76H51N3O8 — CID 122430576

IUPAC6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione
SMILESCOc1ccc2c(c1)Oc1cc(OC)ccc1N2c1cc(N2c3ccc(OC)cc3Oc3cc(OC)ccc32)c2ccc3ccc4ccc5ccc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)cc5c(=O)c4c3c(=O)c2c1
InChIInChI=1S/C76H51N3O8/c1-82-53-24-31-64-69(40-53)86-70-41-54(83-2)25-32-65(70)78(64)52-38-61-57(68(39-52)79-66-33-26-55(84-3)42-71(66)87-72-43-56(85-4)27-34-67(72)79)28-20-48-18-17-47-16-15-46-19-23-51(37-58(46)75(80)73(47)74(48)76(61)81)77-62-29-21-49(44-11-7-5-8-12-44)35-59(62)60-36-50(22-30-63(60)77)45-13-9-6-10-14-45/h5-43H,1-4H3
InChIKeyXNBOVSGKAYCUPC-UHFFFAOYSA-N
MW1134.26 g/mol
LogP18.64
Rot. Bonds9

About 6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione

6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione (PubChem CID 122430576) has the molecular formula C76H51N3O8 and a molecular weight of 1134.26 g/mol. Its IUPAC name is 6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione.

Molecular Properties

Compound Name6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione
PubChem CID122430576
Molecular FormulaC76H51N3O8
Molecular Weight1134.26 g/mol
Exact Mass1133.37
IUPAC Name6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione
SMILESCOc1ccc2c(c1)Oc1cc(OC)ccc1N2c1cc(N2c3ccc(OC)cc3Oc3cc(OC)ccc32)c2ccc3ccc4ccc5ccc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)cc5c(=O)c4c3c(=O)c2c1
InChIInChI=1S/C76H51N3O8/c1-82-53-24-31-64-69(40-53)86-70-41-54(83-2)25-32-65(70)78(64)52-38-61-57(68(39-52)79-66-33-26-55(84-3)42-71(66)87-72-43-56(85-4)27-34-67(72)79)28-20-48-18-17-47-16-15-46-19-23-51(37-58(46)75(80)73(47)74(48)76(61)81)77-62-29-21-49(44-11-7-5-8-12-44)35-59(62)60-36-50(22-30-63(60)77)45-13-9-6-10-14-45/h5-43H,1-4H3
InChIKeyXNBOVSGKAYCUPC-UHFFFAOYSA-N
XLogP18.64
TPSA100.93 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001134.26
LogP ≤ 518.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione with MolForge

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Related Compounds

10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine
CID 59302133
10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine
CID 170992137
13-(3,6-dimethoxycarbazol-9-yl)-5,6-di(phenothiazin-10-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-one
CID 122430704
7-(4-phenylphenyl)-10-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]benzo[c]phenoxazine
CID 155791171
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one
CID 137401641
3-(11-naphthalen-1-ylbenzo[a]carbazol-8-yl)-12-(4-triphenylen-2-ylphenyl)benzo[b]phenoxazine
CID 155791213
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 165088278
3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
CID 59147259

Frequently Asked Questions

What is the IUPAC name of 6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione?
The IUPAC name of 6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione (CID 122430576) is 6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione.
What is the SMILES notation for 6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione?
The canonical SMILES for 6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione is COc1ccc2c(c1)Oc1cc(OC)ccc1N2c1cc(N2c3ccc(OC)cc3Oc3cc(OC)ccc32)c2ccc3ccc4ccc5ccc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)cc5c(=O)c4c3c(=O)c2c1.
What is the InChIKey of 6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione?
The InChIKey is XNBOVSGKAYCUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H51N3O8/c1-82-53-24-31-64-69(40-53)86-70-41-54(83-2)25-32-65(70)78(64)52-38-61-57(68(39-52)79-66-33-26-55(84-3)42-71(66)87-72-43-56(85-4)27-34-67(72)79)28-20-48-18-17-47-16-15-46-19-23-51(37-58(46)75(80)73(47)74(48)76(61)81)77-62-29-21-49(44-11-7-5-8-12-44)35-59(62)60-36-50(22-30-63(60)77)45-13-9-6-10-14-45/h5-43H,1-4H3.
What are the key properties of 6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione?
6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione has a molecular weight of 1134.26 g/mol, XLogP of 18.64, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis(3,7-dimethoxyphenoxazin-10-yl)-21-(3,6-diphenylcarbazol-9-yl)pentacyclo[13.9.0.02,12.04,9.018,23]tetracosa-1(15),2(12),4(9),5,7,10,13,16,18(23),19,21-undecaene-3,24-dione is sourced from PubChem (CID 122430576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).