2-(4-benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole

C164H101N7O8 — CID 158322044

IUPAC2-(4-benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)Oc5cc7ccccc7cc5O6)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)Oc5cc7ccccc7cc5O6)cn4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)Oc5cc7ccccc7cc5O6)nc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)Oc6cc8ccccc8cc6O7)cccc54)cc32)cc1
InChIInChI=1S/C46H28N2O2.C40H25NO2.2C39H24N2O2/c1-2-13-32(14-3-1)47-38-18-8-6-15-35(38)36-23-22-33(28-41(36)47)48-39-19-9-7-16-37(39)46-34(17-10-20-40(46)48)31-21-24-42-43(27-31)50-45-26-30-12-5-4-11-29(30)25-44(45)49-42;1-2-10-32(11-3-1)41-35-13-7-6-12-33(35)34-22-30(18-20-36(34)41)26-14-16-27(17-15-26)31-19-21-37-38(25-31)43-40-24-29-9-5-4-8-28(29)23-39(40)42-37;1-2-10-30(11-3-1)41-34-13-7-6-12-31(34)32-20-28(15-18-35(32)41)33-17-14-29(24-40-33)27-16-19-36-37(23-27)43-39-22-26-9-5-4-8-25(26)21-38(39)42-36;1-2-10-30(11-3-1)41-34-13-7-6-12-31(34)32-20-27(15-18-35(32)41)29-14-17-33(40-24-29)28-16-19-36-37(23-28)43-39-22-26-9-5-4-8-25(26)21-38(39)42-36/h1-28H;1-25H;2*1-24H
InChIKeyGOYVWHUNMPIJLD-UHFFFAOYSA-N
MW2297.65 g/mol
LogP44.90
Rot. Bonds12

About 2-(4-benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole

2-(4-benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole (PubChem CID 158322044) has the molecular formula C164H101N7O8 and a molecular weight of 2297.65 g/mol. Its IUPAC name is 2-(4-benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-(4-benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole
PubChem CID158322044
Molecular FormulaC164H101N7O8
Molecular Weight2297.65 g/mol
Exact Mass2295.77
IUPAC Name2-(4-benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)Oc5cc7ccccc7cc5O6)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)Oc5cc7ccccc7cc5O6)cn4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)Oc5cc7ccccc7cc5O6)nc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)Oc6cc8ccccc8cc6O7)cccc54)cc32)cc1
InChIInChI=1S/C46H28N2O2.C40H25NO2.2C39H24N2O2/c1-2-13-32(14-3-1)47-38-18-8-6-15-35(38)36-23-22-33(28-41(36)47)48-39-19-9-7-16-37(39)46-34(17-10-20-40(46)48)31-21-24-42-43(27-31)50-45-26-30-12-5-4-11-29(30)25-44(45)49-42;1-2-10-32(11-3-1)41-35-13-7-6-12-33(35)34-22-30(18-20-36(34)41)26-14-16-27(17-15-26)31-19-21-37-38(25-31)43-40-24-29-9-5-4-8-28(29)23-39(40)42-37;1-2-10-30(11-3-1)41-34-13-7-6-12-31(34)32-20-28(15-18-35(32)41)33-17-14-29(24-40-33)27-16-19-36-37(23-27)43-39-22-26-9-5-4-8-25(26)21-38(39)42-36;1-2-10-30(11-3-1)41-34-13-7-6-12-31(34)32-20-27(15-18-35(32)41)29-14-17-33(40-24-29)28-16-19-36-37(23-28)43-39-22-26-9-5-4-8-25(26)21-38(39)42-36/h1-28H;1-25H;2*1-24H
InChIKeyGOYVWHUNMPIJLD-UHFFFAOYSA-N
XLogP44.90
TPSA124.27 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002297.65
LogP ≤ 544.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-(4-benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole with MolForge

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Related Compounds

2-(1,3-Benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-pyridin-4-yl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-4-pyrrolo[3,2-c]pyridin-1-yl-2-[2-(trifluoromethyl)phenyl]quinoline
CID 157707312
2-(1,3-Benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-phenyl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-4-pyrrolo[3,2-c]pyridin-1-yl-2-[2-(trifluoromethyl)phenyl]quinoline
CID 162044234
8-[3-[3-[9-[3-(9-Phenylcarbazol-3-yl)phenyl]carbazol-3-yl]oxycarbazol-9-yl]phenyl]-5-(3-phenylphenyl)pyrido[4,3-b]indole
CID 89850141
3-[9-[6,7-Dimethoxy-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole
CID 89909845
2,2,3,3-Tetramethyl-5,8-bis(14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-10-yl)-1,4-benzodioxine-6,7-dicarbonitrile
CID 122609852
3-(5-Benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole
CID 126681369
3-(6-Benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole
CID 126681370
9-[9-[4-[4-(4-Carbazol-9-yl-5-methylcyclohexa-1,3-dien-1-yl)-1,4-bis(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazol-3-yl]-5-[4-(4-pyrido[4,3-b]indol-5-ylphenoxy)phenyl]pyrido[4,3-b]indole
CID 129259894
4-[15,20-bis(4-hydroxy-3-methoxyphenyl)-10-(4-pyrrol-1-yl-1H-phenalen-1-yl)-21,23-dihydroporphyrin-5-yl]-2-methoxyphenol
CID 136352365
2-[2-[[7-(6-Benzyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]methyl]phenyl]-7-[6-phenoxy-2-(6-phenoxy-9-phenylcarbazol-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 137420925
5-[3-[[9-(5-Cyano-2-phenyl-4-pyridin-4-ylphenyl)-6-methoxycarbazol-3-yl]methoxy]-6-[2-[9-(5-cyano-2-phenyl-4-pyridin-4-ylphenyl)-6-methoxycarbazol-3-yl]oxyethoxy]carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile
CID 138566467
16-Pyridin-4-yl-12-[6-(16-pyridin-4-yl-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaen-12-yl)anthracen-2-yl]-5-oxa-12,16-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene
CID 139459506

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole?
The IUPAC name of 2-(4-benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole (CID 158322044) is 2-(4-benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole.
What is the SMILES notation for 2-(4-benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole?
The canonical SMILES for 2-(4-benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)Oc5cc7ccccc7cc5O6)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)Oc5cc7ccccc7cc5O6)cn4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)Oc5cc7ccccc7cc5O6)nc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)Oc6cc8ccccc8cc6O7)cccc54)cc32)cc1.
What is the InChIKey of 2-(4-benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole?
The InChIKey is GOYVWHUNMPIJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O2.C40H25NO2.2C39H24N2O2/c1-2-13-32(14-3-1)47-38-18-8-6-15-35(38)36-23-22-33(28-41(36)47)48-39-19-9-7-16-37(39)46-34(17-10-20-40(46)48)31-21-24-42-43(27-31)50-45-26-30-12-5-4-11-29(30)25-44(45)49-42;1-2-10-32(11-3-1)41-35-13-7-6-12-33(35)34-22-30(18-20-36(34)41)26-14-16-27(17-15-26)31-19-21-37-38(25-31)43-40-24-29-9-5-4-8-28(29)23-39(40)42-37;1-2-10-30(11-3-1)41-34-13-7-6-12-31(34)32-20-28(15-18-35(32)41)33-17-14-29(24-40-33)27-16-19-36-37(23-27)43-39-22-26-9-5-4-8-25(26)21-38(39)42-36;1-2-10-30(11-3-1)41-34-13-7-6-12-31(34)32-20-27(15-18-35(32)41)29-14-17-33(40-24-29)28-16-19-36-37(23-28)43-39-22-26-9-5-4-8-25(26)21-38(39)42-36/h1-28H;1-25H;2*1-24H.
What are the key properties of 2-(4-benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole?
2-(4-benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole has a molecular weight of 2297.65 g/mol, XLogP of 44.90, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole is sourced from PubChem (CID 158322044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).