2-[9-[1-(1,3-benzoxazol-2-yl)carbazol-9-yl]carbazol-1-yl]-1,3-benzoxazole;2-[4-[9-[1-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]carbazol-1-yl]phenyl]-1,3-benzoxazole;3-pyrimidin-2-yl-9-(3-pyrimidin-2-ylcarbazol-9-yl)carbazole

C120H72N14O4 — CID 158573878

IUPAC2-[9-[1-(1,3-benzoxazol-2-yl)carbazol-9-yl]carbazol-1-yl]-1,3-benzoxazole;2-[4-[9-[1-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]carbazol-1-yl]phenyl]-1,3-benzoxazole;3-pyrimidin-2-yl-9-(3-pyrimidin-2-ylcarbazol-9-yl)carbazole
SMILESc1ccc2oc(-c3ccc(-c4cccc5c6ccccc6n(-n6c7ccccc7c7cccc(-c8ccc(-c9nc%10ccccc%10o9)cc8)c76)c45)cc3)nc2c1.c1ccc2oc(-c3cccc4c5ccccc5n(-n5c6ccccc6c6cccc(-c7nc8ccccc8o7)c65)c34)nc2c1.c1cnc(-c2ccc3c(c2)c2ccccc2n3-n2c3ccccc3c3cc(-c4ncccn4)ccc32)nc1
InChIInChI=1S/C50H30N4O2.C38H22N4O2.C32H20N6/c1-5-19-43-37(11-1)39-15-9-13-35(31-23-27-33(28-24-31)49-51-41-17-3-7-21-45(41)55-49)47(39)53(43)54-44-20-6-2-12-38(44)40-16-10-14-36(48(40)54)32-25-29-34(30-26-32)50-52-42-18-4-8-22-46(42)56-50;1-5-19-31-23(11-1)25-13-9-15-27(37-39-29-17-3-7-21-33(29)43-37)35(25)41(31)42-32-20-6-2-12-24(32)26-14-10-16-28(36(26)42)38-40-30-18-4-8-22-34(30)44-38;1-3-9-27-23(7-1)25-19-21(31-33-15-5-16-34-31)11-13-29(25)37(27)38-28-10-4-2-8-24(28)26-20-22(12-14-30(26)38)32-35-17-6-18-36-32/h1-30H;1-22H;1-20H
InChIKeyHSKMYHSAZLPELR-UHFFFAOYSA-N
MW1773.99 g/mol
LogP30.12
Rot. Bonds11

About 2-[9-[1-(1,3-benzoxazol-2-yl)carbazol-9-yl]carbazol-1-yl]-1,3-benzoxazole;2-[4-[9-[1-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]carbazol-1-yl]phenyl]-1,3-benzoxazole;3-pyrimidin-2-yl-9-(3-pyrimidin-2-ylcarbazol-9-yl)carbazole

2-[9-[1-(1,3-benzoxazol-2-yl)carbazol-9-yl]carbazol-1-yl]-1,3-benzoxazole;2-[4-[9-[1-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]carbazol-1-yl]phenyl]-1,3-benzoxazole;3-pyrimidin-2-yl-9-(3-pyrimidin-2-ylcarbazol-9-yl)carbazole (PubChem CID 158573878) has the molecular formula C120H72N14O4 and a molecular weight of 1773.99 g/mol. Its IUPAC name is 2-[9-[1-(1,3-benzoxazol-2-yl)carbazol-9-yl]carbazol-1-yl]-1,3-benzoxazole;2-[4-[9-[1-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]carbazol-1-yl]phenyl]-1,3-benzoxazole;3-pyrimidin-2-yl-9-(3-pyrimidin-2-ylcarbazol-9-yl)carbazole.

Molecular Properties

Compound Name2-[9-[1-(1,3-benzoxazol-2-yl)carbazol-9-yl]carbazol-1-yl]-1,3-benzoxazole;2-[4-[9-[1-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]carbazol-1-yl]phenyl]-1,3-benzoxazole;3-pyrimidin-2-yl-9-(3-pyrimidin-2-ylcarbazol-9-yl)carbazole
PubChem CID158573878
Molecular FormulaC120H72N14O4
Molecular Weight1773.99 g/mol
Exact Mass1772.59
IUPAC Name2-[9-[1-(1,3-benzoxazol-2-yl)carbazol-9-yl]carbazol-1-yl]-1,3-benzoxazole;2-[4-[9-[1-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]carbazol-1-yl]phenyl]-1,3-benzoxazole;3-pyrimidin-2-yl-9-(3-pyrimidin-2-ylcarbazol-9-yl)carbazole
SMILESc1ccc2oc(-c3ccc(-c4cccc5c6ccccc6n(-n6c7ccccc7c7cccc(-c8ccc(-c9nc%10ccccc%10o9)cc8)c76)c45)cc3)nc2c1.c1ccc2oc(-c3cccc4c5ccccc5n(-n5c6ccccc6c6cccc(-c7nc8ccccc8o7)c65)c34)nc2c1.c1cnc(-c2ccc3c(c2)c2ccccc2n3-n2c3ccccc3c3cc(-c4ncccn4)ccc32)nc1
InChIInChI=1S/C50H30N4O2.C38H22N4O2.C32H20N6/c1-5-19-43-37(11-1)39-15-9-13-35(31-23-27-33(28-24-31)49-51-41-17-3-7-21-45(41)55-49)47(39)53(43)54-44-20-6-2-12-38(44)40-16-10-14-36(48(40)54)32-25-29-34(30-26-32)50-52-42-18-4-8-22-46(42)56-50;1-5-19-31-23(11-1)25-13-9-15-27(37-39-29-17-3-7-21-33(29)43-37)35(25)41(31)42-32-20-6-2-12-24(32)26-14-10-16-28(36(26)42)38-40-30-18-4-8-22-34(30)44-38;1-3-9-27-23(7-1)25-19-21(31-33-15-5-16-34-31)11-13-29(25)37(27)38-28-10-4-2-8-24(28)26-20-22(12-14-30(26)38)32-35-17-6-18-36-32/h1-30H;1-22H;1-20H
InChIKeyHSKMYHSAZLPELR-UHFFFAOYSA-N
XLogP30.12
TPSA185.26 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001773.99
LogP ≤ 530.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[9-[1-(1,3-benzoxazol-2-yl)carbazol-9-yl]carbazol-1-yl]-1,3-benzoxazole;2-[4-[9-[1-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]carbazol-1-yl]phenyl]-1,3-benzoxazole;3-pyrimidin-2-yl-9-(3-pyrimidin-2-ylcarbazol-9-yl)carbazole with MolForge

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Related Compounds

2-[3-[4-[3-(4-Methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 58480069
2-[3-[4-[3,5-Bis[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 59439666
3-methoxy-N-methyl-4-[[4-propan-2-yloxy-5-[4-(1H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(2,2,2-trifluoroethyl)benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(trifluoromethyl)benzamide
CID 157850428
iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(2-phenyl-3-pyridinyl)-4,5-bis(trifluoromethyl)-1,3-oxazole
CID 172541918
2-(1-Pyrimidin-2-ylindol-7-yl)-1,3-benzoxazole
CID 166443330
8-[3-[3,6-Bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 57958359
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyrimidin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole
CID 57958485
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyrimidin-4-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole
CID 57958556
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyrimidin-5-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole
CID 57958605
2-[4-(10-Pyrimidin-2-ylanthracen-9-yl)phenyl]-1,3-benzoxazole
CID 57967420
2-[4-Anthracen-9-yl-6-(1-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzoxazole
CID 58479970
2-[10-[3-(1,10-Phenanthrolin-5-yl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]anthracen-9-yl]-1,3-benzoxazole
CID 58480051

Frequently Asked Questions

What is the IUPAC name of 2-[9-[1-(1,3-benzoxazol-2-yl)carbazol-9-yl]carbazol-1-yl]-1,3-benzoxazole;2-[4-[9-[1-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]carbazol-1-yl]phenyl]-1,3-benzoxazole;3-pyrimidin-2-yl-9-(3-pyrimidin-2-ylcarbazol-9-yl)carbazole?
The IUPAC name of 2-[9-[1-(1,3-benzoxazol-2-yl)carbazol-9-yl]carbazol-1-yl]-1,3-benzoxazole;2-[4-[9-[1-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]carbazol-1-yl]phenyl]-1,3-benzoxazole;3-pyrimidin-2-yl-9-(3-pyrimidin-2-ylcarbazol-9-yl)carbazole (CID 158573878) is 2-[9-[1-(1,3-benzoxazol-2-yl)carbazol-9-yl]carbazol-1-yl]-1,3-benzoxazole;2-[4-[9-[1-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]carbazol-1-yl]phenyl]-1,3-benzoxazole;3-pyrimidin-2-yl-9-(3-pyrimidin-2-ylcarbazol-9-yl)carbazole.
What is the SMILES notation for 2-[9-[1-(1,3-benzoxazol-2-yl)carbazol-9-yl]carbazol-1-yl]-1,3-benzoxazole;2-[4-[9-[1-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]carbazol-1-yl]phenyl]-1,3-benzoxazole;3-pyrimidin-2-yl-9-(3-pyrimidin-2-ylcarbazol-9-yl)carbazole?
The canonical SMILES for 2-[9-[1-(1,3-benzoxazol-2-yl)carbazol-9-yl]carbazol-1-yl]-1,3-benzoxazole;2-[4-[9-[1-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]carbazol-1-yl]phenyl]-1,3-benzoxazole;3-pyrimidin-2-yl-9-(3-pyrimidin-2-ylcarbazol-9-yl)carbazole is c1ccc2oc(-c3ccc(-c4cccc5c6ccccc6n(-n6c7ccccc7c7cccc(-c8ccc(-c9nc%10ccccc%10o9)cc8)c76)c45)cc3)nc2c1.c1ccc2oc(-c3cccc4c5ccccc5n(-n5c6ccccc6c6cccc(-c7nc8ccccc8o7)c65)c34)nc2c1.c1cnc(-c2ccc3c(c2)c2ccccc2n3-n2c3ccccc3c3cc(-c4ncccn4)ccc32)nc1.
What is the InChIKey of 2-[9-[1-(1,3-benzoxazol-2-yl)carbazol-9-yl]carbazol-1-yl]-1,3-benzoxazole;2-[4-[9-[1-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]carbazol-1-yl]phenyl]-1,3-benzoxazole;3-pyrimidin-2-yl-9-(3-pyrimidin-2-ylcarbazol-9-yl)carbazole?
The InChIKey is HSKMYHSAZLPELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2.C38H22N4O2.C32H20N6/c1-5-19-43-37(11-1)39-15-9-13-35(31-23-27-33(28-24-31)49-51-41-17-3-7-21-45(41)55-49)47(39)53(43)54-44-20-6-2-12-38(44)40-16-10-14-36(48(40)54)32-25-29-34(30-26-32)50-52-42-18-4-8-22-46(42)56-50;1-5-19-31-23(11-1)25-13-9-15-27(37-39-29-17-3-7-21-33(29)43-37)35(25)41(31)42-32-20-6-2-12-24(32)26-14-10-16-28(36(26)42)38-40-30-18-4-8-22-34(30)44-38;1-3-9-27-23(7-1)25-19-21(31-33-15-5-16-34-31)11-13-29(25)37(27)38-28-10-4-2-8-24(28)26-20-22(12-14-30(26)38)32-35-17-6-18-36-32/h1-30H;1-22H;1-20H.
What are the key properties of 2-[9-[1-(1,3-benzoxazol-2-yl)carbazol-9-yl]carbazol-1-yl]-1,3-benzoxazole;2-[4-[9-[1-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]carbazol-1-yl]phenyl]-1,3-benzoxazole;3-pyrimidin-2-yl-9-(3-pyrimidin-2-ylcarbazol-9-yl)carbazole?
2-[9-[1-(1,3-benzoxazol-2-yl)carbazol-9-yl]carbazol-1-yl]-1,3-benzoxazole;2-[4-[9-[1-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]carbazol-1-yl]phenyl]-1,3-benzoxazole;3-pyrimidin-2-yl-9-(3-pyrimidin-2-ylcarbazol-9-yl)carbazole has a molecular weight of 1773.99 g/mol, XLogP of 30.12, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[1-(1,3-benzoxazol-2-yl)carbazol-9-yl]carbazol-1-yl]-1,3-benzoxazole;2-[4-[9-[1-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-9-yl]carbazol-1-yl]phenyl]-1,3-benzoxazole;3-pyrimidin-2-yl-9-(3-pyrimidin-2-ylcarbazol-9-yl)carbazole is sourced from PubChem (CID 158573878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).