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

C118H73N5O6 — CID 158935991

IUPAC3-(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
InChIInChI=1S/C40H25NO2.2C39H24N2O2/c1-2-10-32(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/h1-25H;2*1-24H
InChIKeyJJQPONNFHSXAAQ-UHFFFAOYSA-N
MW1656.91 g/mol
LogP32.30
Rot. Bonds9

About 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

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 158935991) has the molecular formula C118H73N5O6 and a molecular weight of 1656.91 g/mol. Its IUPAC name is 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 Name3-(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 CID158935991
Molecular FormulaC118H73N5O6
Molecular Weight1656.91 g/mol
Exact Mass1655.56
IUPAC Name3-(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
InChIInChI=1S/C40H25NO2.2C39H24N2O2/c1-2-10-32(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/h1-25H;2*1-24H
InChIKeyJJQPONNFHSXAAQ-UHFFFAOYSA-N
XLogP32.30
TPSA95.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001656.91
LogP ≤ 532.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 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 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 158935991) is 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 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 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.
What is the InChIKey of 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 JJQPONNFHSXAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO2.2C39H24N2O2/c1-2-10-32(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/h1-25H;2*1-24H.
What are the key properties of 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?
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 1656.91 g/mol, XLogP of 32.30, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 158935991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).